2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C19H19ClN4 — CID 112920094

IUPAC2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-13-18(21-12-11-15-5-3-2-4-6-15)24-19(22-14)23-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyGXPMFVAEKPMXIM-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.84
Rot. Bonds6

About 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112920094) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112920094
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-13-18(21-12-11-15-5-3-2-4-6-15)24-19(22-14)23-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24)
InChIKeyGXPMFVAEKPMXIM-UHFFFAOYSA-N
XLogP4.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)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-(4-chlorophenyl)-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112926476
2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099
4-N-(4-chlorophenyl)-2-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922682
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926473
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924398
6-methyl-4-N-(2-phenylethyl)-2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112920129
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
ethyl 4-[[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]amino]benzoate
CID 112920140
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112920094) is 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is Cc1cc(NCCc2ccccc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is GXPMFVAEKPMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-13-18(21-12-11-15-5-3-2-4-6-15)24-19(22-14)23-17-9-7-16(20)8-10-17/h2-10,13H,11-12H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).