4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

C14H17ClN4O — CID 80762755

IUPAC4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Cl)ccc2OC)nc(C)n1
InChIInChI=1S/C14H17ClN4O/c1-4-16-13-8-14(18-9(2)17-13)19-11-7-10(15)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZVIYIDXVFQMUOO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.62
Rot. Bonds5

About 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine

4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (PubChem CID 80762755) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
PubChem CID80762755
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Cl)ccc2OC)nc(C)n1
InChIInChI=1S/C14H17ClN4O/c1-4-16-13-8-14(18-9(2)17-13)19-11-7-10(15)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyZVIYIDXVFQMUOO-UHFFFAOYSA-N
XLogP3.62
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-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

4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80737949
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877874
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine (CID 80762755) is 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(Cl)ccc2OC)nc(C)n1.
What is the InChIKey of 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is ZVIYIDXVFQMUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-16-13-8-14(18-9(2)17-13)19-11-7-10(15)5-6-12(11)20-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine?
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).