N-(3-methylphenyl)-4-phenylpyrimidin-2-amine

C17H15N3 — CID 20772097

IUPACN-(3-methylphenyl)-4-phenylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N3/c1-13-6-5-9-15(12-13)19-17-18-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,20)
InChIKeyYERWAFMWLCIGQU-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.20
Rot. Bonds3

About N-(3-methylphenyl)-4-phenylpyrimidin-2-amine

N-(3-methylphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 20772097) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenylpyrimidin-2-amine
PubChem CID20772097
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-(3-methylphenyl)-4-phenylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H15N3/c1-13-6-5-9-15(12-13)19-17-18-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,20)
InChIKeyYERWAFMWLCIGQU-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
CID 20772068
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
CID 155412429
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-phenylpyrimidin-2-amine (CID 20772097) is N-(3-methylphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-phenylpyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is YERWAFMWLCIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-13-6-5-9-15(12-13)19-17-18-11-10-16(20-17)14-7-3-2-4-8-14/h2-12H,1H3,(H,18,19,20).
What are the key properties of N-(3-methylphenyl)-4-phenylpyrimidin-2-amine?
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 20772097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).