![CAS 1343120-12-6 [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1343120-12-6.gif)
CAS RN: 1343120-12-6
[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
- Product code: SSC-041892
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1343120-12-6 / [2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
Basic Information
CAS
1343120-12-6
Multi CAS
No
Molecular Formula
C10H17N5
Molecular Weight
207.280000
Exact Mass
207.148396
SMILES
CN1CCN(CC1)C2=NC=CC(=N2)CN
InChI
InChI=1S/C10H17N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-8,11H2,1H3
InChIKey
BIQCBPGYBSLAOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.63
TPSA
58.28
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.6
Consensus LogP
-0.39
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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- CAS RN: 1343316-76-6
- Product Code: SSC-041945
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