CAS RN: 101346-02-5
Pyrimidine, 5-(chloromethyl)- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS101346-02-5
- Purity/Analytical Methods: >99.0%
101346-02-5 / 5-(chloromethyl)pyrimidine
5-(Chloromethyl)pyrimidine | DTXSID70563354 | RefChem:300375
Basic Information
CAS
101346-02-5
Multi CAS
Yes
Molecular Formula
C5H5ClN2
Molecular Weight
128.560000
Exact Mass
128.014126
SMILES
C1=C(C=NC=N1)CCl
InChI
InChI=1S/C5H5ClN2/c6-1-5-2-7-4-8-3-5/h2-4H,1H2
InChIKey
JTDIIDXRVCNTDU-UHFFFAOYSA-N
Synonyms
5-(Chloromethyl)pyrimidine
DTXSID70563354
RefChem:300375
DTXCID80514130
PYRIMIDINE, 5-(CHLOROMETHYL)-
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.59
TPSA
25.78
LogP / Solubility
WLOGP
1.22
MLOGP
1.06
Consensus LogP
0.76
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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