4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

C20H22N4O2 — CID 112861116

IUPAC4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-25-17-9-8-16(12-18(17)26-2)24-20-13-19(22-14-23-20)21-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyWCAWKEUKBUHRJO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.89
Rot. Bonds8

About 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine

4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112861116) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112861116
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C20H22N4O2/c1-25-17-9-8-16(12-18(17)26-2)24-20-13-19(22-14-23-20)21-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24)
InChIKeyWCAWKEUKBUHRJO-UHFFFAOYSA-N
XLogP3.89
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861650
6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112864576
4-N-(4-chlorophenyl)-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112862488
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-[[6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113192901
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862476
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
6-(3,4-dimethoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109353612
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862477
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862591

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine (CID 112861116) is 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(NCCc3ccccc3)ncn2)cc1OC.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is WCAWKEUKBUHRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-17-9-8-16(12-18(17)26-2)24-20-13-19(22-14-23-20)21-11-10-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine?
4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 350.42 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112861116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).