4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine

C18H16Cl2N4 — CID 112892059

IUPAC4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-2-5-15(20)10-16(12)23-17-8-9-21-18(24-17)22-11-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyLOEDCSIRYBONBD-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.45
Rot. Bonds5

About 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine

4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892059) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892059
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Cl)cc1Nc1ccnc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-2-5-15(20)10-16(12)23-17-8-9-21-18(24-17)22-11-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyLOEDCSIRYBONBD-UHFFFAOYSA-N
XLogP5.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine 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

2-N-(5-chloro-2-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893742
4-N-[(4-chlorophenyl)methyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112891930
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101
2-N-(5-chloro-2-methoxyphenyl)-4-N-(5-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 112903920
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
2-N-(5-chloro-2-methylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916415
2-N-(5-chloro-2-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900369
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891621
5-N-(5-chloro-2-methylphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951241
2-N-(5-chloro-2-methylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882056

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine (CID 112892059) is 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(Cl)cc1Nc1ccnc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LOEDCSIRYBONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-12-2-5-15(20)10-16(12)23-17-8-9-21-18(24-17)22-11-13-3-6-14(19)7-4-13/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine?
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).