5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

C25H23N3O — CID 23605395

IUPAC5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N3O/c1-18-23(17-19-9-5-3-6-10-19)25(27-21-13-15-22(29-2)16-14-21)28-24(26-18)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,27,28)
InChIKeyWPOJWOGDWURZQE-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.80
Rot. Bonds6

About 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine

5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 23605395) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID23605395
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)cc1
InChIInChI=1S/C25H23N3O/c1-18-23(17-19-9-5-3-6-10-19)25(27-21-13-15-22(29-2)16-14-21)28-24(26-18)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,27,28)
InChIKeyWPOJWOGDWURZQE-UHFFFAOYSA-N
XLogP5.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-methoxy-6-methyl-2-phenylpyrimidine
CID 2223258
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 12526552
2-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23824682
N-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 134152595
1-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744615
[4-(3,4-dichloroanilino)-6-methyl-2-phenylpyrimidin-5-yl]methanol
CID 10689847
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
CID 172636149
4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773997
(2S)-2-amino-3-[4-[4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]benzoyl]oxyphenyl]propanoic acid
CID 129051937

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 23605395) is 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is COc1ccc(Nc2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is WPOJWOGDWURZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-18-23(17-19-9-5-3-6-10-19)25(27-21-13-15-22(29-2)16-14-21)28-24(26-18)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,26,27,28).
What are the key properties of 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine?
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 23605395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).