2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine

C17H14ClN3 — CID 106818359

IUPAC2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H14ClN3/c1-11-7-8-13(9-14(11)18)17-20-15(10-16(19)21-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21)
InChIKeyQFKTZTSOQUUAIE-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.35
Rot. Bonds2

About 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine

2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine (PubChem CID 106818359) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
PubChem CID106818359
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)cc(-c3ccccc3)n2)cc1Cl
InChIInChI=1S/C17H14ClN3/c1-11-7-8-13(9-14(11)18)17-20-15(10-16(19)21-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21)
InChIKeyQFKTZTSOQUUAIE-UHFFFAOYSA-N
XLogP4.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-dimethylphenyl)-2-phenylpyrimidin-4-amine
CID 115915041
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
4-chloro-2-(3-chloro-4-methylphenyl)-5-iodo-6-methylpyrimidine
CID 106818019
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
6-(5-methylthiophen-2-yl)-2-phenylpyrimidin-4-amine
CID 112559736
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
[2-(3-chloro-4-methylphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 106818477
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine (CID 106818359) is 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine is Cc1ccc(-c2nc(N)cc(-c3ccccc3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine?
The InChIKey is QFKTZTSOQUUAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-7-8-13(9-14(11)18)17-20-15(10-16(19)21-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,19,20,21).
What are the key properties of 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine?
2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 106818359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).