6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine

C19H19ClN4 — CID 100566790

IUPAC6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-17-13-18(24-19(21)23-17)22-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H3,21,22,23,24)
InChIKeySJCFOEVIHKVAAB-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.35
Rot. Bonds6

About 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine

6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine (PubChem CID 100566790) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
PubChem CID100566790
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCC(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C19H19ClN4/c20-17-13-18(24-19(21)23-17)22-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H3,21,22,23,24)
InChIKeySJCFOEVIHKVAAB-UHFFFAOYSA-N
XLogP4.35
TPSA63.83 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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-N-(3,3-diphenylpropyl)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

6-chloro-4-N-(2-phenylmethoxyethyl)pyrimidine-2,4-diamine
CID 155896810
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
6-chloro-4-N-[2-(2-methylphenoxy)ethyl]pyrimidine-2,4-diamine
CID 47298970
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 134001512
6-chloro-4-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 100854268
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
4-(2-benzylhydrazinyl)-6-chloropyrimidin-2-amine
CID 88594326

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine (CID 100566790) is 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCCC(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is SJCFOEVIHKVAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c20-17-13-18(24-19(21)23-17)22-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H3,21,22,23,24).
What are the key properties of 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 100566790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).