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

C19H19ClN4O — CID 112861730

IUPAC4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(Nc3ccccc3Cl)ncn2)cc1
InChIInChI=1S/C19H19ClN4O/c1-25-15-8-6-14(7-9-15)10-11-21-18-12-19(23-13-22-18)24-17-5-3-2-4-16(17)20/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyGVRUXIOZZAPHAJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.54
Rot. Bonds7

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

4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112861730) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112861730
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(Nc3ccccc3Cl)ncn2)cc1
InChIInChI=1S/C19H19ClN4O/c1-25-15-8-6-14(7-9-15)10-11-21-18-12-19(23-13-22-18)24-17-5-3-2-4-16(17)20/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyGVRUXIOZZAPHAJ-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-(2-chlorophenyl)-6-N-[2-(4-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

4-N-(2,5-dimethylphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861718
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-(2-chlorophenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865751
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-pyrimidin-4-ylpyrimidine-4,6-diamine
CID 117084589
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
4-N-(2-bromophenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861665
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (CID 112861730) is 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is COc1ccc(CCNc2cc(Nc3ccccc3Cl)ncn2)cc1.
What is the InChIKey of 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is GVRUXIOZZAPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-25-15-8-6-14(7-9-15)10-11-21-18-12-19(23-13-22-18)24-17-5-3-2-4-16(17)20/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
4-N-(2-chlorophenyl)-6-N-[2-(4-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-(2-chlorophenyl)-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112861730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).