4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

C19H19ClN4O — CID 112861528

IUPAC4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCOc1ccccc1CCNc1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C19H19ClN4O/c1-25-17-8-3-2-5-14(17)9-10-21-18-12-19(23-13-22-18)24-16-7-4-6-15(20)11-16/h2-8,11-13H,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyZSBLESSLSQENKM-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.54
Rot. Bonds7

About 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112861528) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112861528
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCOc1ccccc1CCNc1cc(Nc2cccc(Cl)c2)ncn1
InChIInChI=1S/C19H19ClN4O/c1-25-17-8-3-2-5-14(17)9-10-21-18-12-19(23-13-22-18)24-16-7-4-6-15(20)11-16/h2-8,11-13H,9-10H2,1H3,(H2,21,22,23,24)
InChIKeyZSBLESSLSQENKM-UHFFFAOYSA-N
XLogP4.54
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-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

N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112860098
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
4-N-(3-chlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860263
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122239
4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861116
4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861650
4-N-(3-chloro-4-fluorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874149

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (CID 112861528) is 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is COc1ccccc1CCNc1cc(Nc2cccc(Cl)c2)ncn1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ZSBLESSLSQENKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-25-17-8-3-2-5-14(17)9-10-21-18-12-19(23-13-22-18)24-16-7-4-6-15(20)11-16/h2-8,11-13H,9-10H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 354.84 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112861528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).