4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

C20H22N4O — CID 112872251

IUPAC4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C20H22N4O/c1-15-21-19(23-17-10-7-11-18(12-17)25-3)13-20(22-15)24(2)14-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyYPLIMLDOQCVZLO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds6

About 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 112872251) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID112872251
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C20H22N4O/c1-15-21-19(23-17-10-7-11-18(12-17)25-3)13-20(22-15)24(2)14-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyYPLIMLDOQCVZLO-UHFFFAOYSA-N
XLogP4.17
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-6-N-(3-methoxyphenyl)-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112876099
4-N-benzyl-6-N-(2,5-dimethoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872258
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
4-N-benzyl-6-N-(3-chloro-4-fluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112872245
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
1-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(3-methoxyphenyl)urea
CID 50748093
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
2-(4-benzylpiperazin-1-yl)-6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 58863836
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 135201977
N-(3-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874751
4-N-benzyl-2-N-[2-(3-methoxyphenyl)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916911

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (CID 112872251) is 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is COc1cccc(Nc2cc(N(C)Cc3ccccc3)nc(C)n2)c1.
What is the InChIKey of 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is YPLIMLDOQCVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-21-19(23-17-10-7-11-18(12-17)25-3)13-20(22-15)24(2)14-16-8-5-4-6-9-16/h4-13H,14H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112872251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).