4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine

C14H18ClN5 — CID 80755241

IUPAC4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1
InChIInChI=1S/C14H18ClN5/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-5-4-9(2)7-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyHITIMIZNOBRZLK-UHFFFAOYSA-N
MW291.79 g/mol
LogP3.59
Rot. Bonds5

About 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80755241) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80755241
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1
InChIInChI=1S/C14H18ClN5/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-5-4-9(2)7-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20)
InChIKeyHITIMIZNOBRZLK-UHFFFAOYSA-N
XLogP3.59
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
4-N-(4-bromo-2-chlorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772259
4-N-(2-chloro-5-methoxyphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791494
4-N-(2-chloro-5-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 107638862
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
4-N-(4-bromo-2-chlorophenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80773687
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80755241) is 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(Nc2ccc(C)cc2Cl)nc(N)n1.
What is the InChIKey of 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is HITIMIZNOBRZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-3-6-17-12-8-13(20-14(16)19-12)18-11-5-4-9(2)7-10(11)15/h4-5,7-8H,3,6H2,1-2H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 291.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).