5-benzyl-6-methyl-N-phenylpyrimidin-4-amine

C18H17N3 — CID 172636149

IUPAC5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1ncnc(Nc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17N3/c1-14-17(12-15-8-4-2-5-9-15)18(20-13-19-14)21-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyXIINDDUCUFRHTN-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.12
Rot. Bonds4

About 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine

5-benzyl-6-methyl-N-phenylpyrimidin-4-amine (PubChem CID 172636149) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
PubChem CID172636149
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name5-benzyl-6-methyl-N-phenylpyrimidin-4-amine
SMILESCc1ncnc(Nc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C18H17N3/c1-14-17(12-15-8-4-2-5-9-15)18(20-13-19-14)21-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,19,20,21)
InChIKeyXIINDDUCUFRHTN-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773997
2-anilino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135645206
6,7-dimethyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine;ethane
CID 90952927
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
2-benzyl-3,4-dimethyl-N-phenylaniline
CID 141073305
6-methyl-5-[(4-methylphenyl)methyl]-N-octylpyrimidin-4-amine
CID 143373114
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
N-(4-benzylphenyl)thieno[3,2-d]pyrimidin-4-amine;hydrochloride
CID 22112828
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine?
The IUPAC name of 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine (CID 172636149) is 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine?
The canonical SMILES for 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine is Cc1ncnc(Nc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine?
The InChIKey is XIINDDUCUFRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-14-17(12-15-8-4-2-5-9-15)18(20-13-19-14)21-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,19,20,21).
What are the key properties of 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine?
5-benzyl-6-methyl-N-phenylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-methyl-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 172636149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).