4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C14H17ClN4O — CID 80763195

IUPAC4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H17ClN4O/c1-4-10-13(16-2)17-8-18-14(10)19-9-5-6-12(20-3)11(15)7-9/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyNVLOXENORNPIKO-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.49
Rot. Bonds5

About 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80763195) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80763195
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H17ClN4O/c1-4-10-13(16-2)17-8-18-14(10)19-9-5-6-12(20-3)11(15)7-9/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyNVLOXENORNPIKO-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-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

5-ethyl-4-N-(4-methoxy-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80802280
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-(4-chlorophenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80760820
6-N,5-diethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80783685
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
4-N-(3-chloro-4-methoxyphenyl)-5-methylpyrimidine-4,6-diamine
CID 80763406
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 115379675
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
6-(4-bromo-2-chlorophenoxy)-5-ethyl-N-methylpyrimidin-4-amine
CID 80882073

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80763195) is 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is NVLOXENORNPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-4-10-13(16-2)17-8-18-14(10)19-9-5-6-12(20-3)11(15)7-9/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).