N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine

C18H17N3 — CID 20772068

IUPACN-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3/c1-13-8-9-14(2)17(12-13)21-18-19-11-10-16(20-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,20,21)
InChIKeyZYTIAVBSSVYARY-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.50
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine

N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 20772068) has the molecular formula C18H17N3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
PubChem CID20772068
Molecular FormulaC18H17N3
Molecular Weight275.35 g/mol
Exact Mass275.14
IUPAC NameN-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nccc(-c3ccccc3)n2)c1
InChIInChI=1S/C18H17N3/c1-13-8-9-14(2)17(12-13)21-18-19-11-10-16(20-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,20,21)
InChIKeyZYTIAVBSSVYARY-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347047
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
2-[[4-(2,5-dimethylphenyl)pyrimidin-2-yl]amino]phenol
CID 91294272
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936116
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
N-(2-methyl-5-nitro-3-pyridinyl)-4-phenylpyrimidin-2-amine
CID 66957994
N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112888275
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine (CID 20772068) is N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine is Cc1ccc(C)c(Nc2nccc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is ZYTIAVBSSVYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-13-8-9-14(2)17(12-13)21-18-19-11-10-16(20-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine?
N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 275.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 20772068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).