CAS RN: 1004-18-8
2,4-Pyrimidinediamine, N4-methyl- (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.20250405 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1004-18-8
- Purity/Analytical Methods: >99.0%
1004-18-8 / 4-N-methylpyrimidine-2,4-diamine
N~4~-Methylpyrimidine-2,4-diamine | DTXSID50653964 | RefChem:366212
Basic Information
CAS
1004-18-8
Multi CAS
Yes
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
SMILES
CNC1=NC(=NC=C1)N
InChI
InChI=1S/C5H8N4/c1-7-4-2-3-8-5(6)9-4/h2-3H,1H3,(H3,6,7,8,9)
InChIKey
ZYRZYWIROWSDLB-UHFFFAOYSA-N
Synonyms
N~4~-Methylpyrimidine-2,4-diamine
DTXSID50653964
RefChem:366212
DTXCID50604714
N4-methylpyrimidine-2,4-diamine
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.99
TPSA
63.83
LogP / Solubility
WLOGP
0.1
MLOGP
0.08
XLogP3
0.2
Consensus LogP
0.13
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 1004-58-6 1,4-Dioxaspiro[4.5]decane-6-ene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1004-58-6.gif)
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