2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

C19H19ClN4 — CID 112918107

IUPAC2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-12-18(24(2)17-6-4-3-5-7-17)23-19(22-14)21-13-15-8-10-16(20)11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyZZAZJUSNSZRFNY-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.82
Rot. Bonds5

About 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine

2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112918107) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112918107
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4/c1-14-12-18(24(2)17-6-4-3-5-7-17)23-19(22-14)21-13-15-8-10-16(20)11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyZZAZJUSNSZRFNY-UHFFFAOYSA-N
XLogP4.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915980
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927480
4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109328957
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80896376
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 112918107) is 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(N(C)c2ccccc2)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is ZZAZJUSNSZRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-12-18(24(2)17-6-4-3-5-7-17)23-19(22-14)21-13-15-8-10-16(20)11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 338.84 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).