4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine

C14H17ClN4 — CID 80801489

IUPAC4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4/c1-9-8-13(19-14(16-3)17-9)18-10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3,(H2,16,17,18,19)
InChIKeyPKJJPHQNMJQLJA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.65
Rot. Bonds4

About 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80801489) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80801489
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NC(C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4/c1-9-8-13(19-14(16-3)17-9)18-10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3,(H2,16,17,18,19)
InChIKeyPKJJPHQNMJQLJA-UHFFFAOYSA-N
XLogP3.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-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)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916685
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
4-[1-(4-chlorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974910
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
2-N-(3-chloro-4-methylphenyl)-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916687
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
6-methyl-4-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112726063
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80801489) is 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NC(C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is PKJJPHQNMJQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-8-13(19-14(16-3)17-9)18-10(2)11-4-6-12(15)7-5-11/h4-8,10H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80801489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).