N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine

C17H14ClN3 — CID 162649279

IUPACN-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3/c1-12-10-16(20-15-9-5-8-14(18)11-15)21-17(19-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21)
InChIKeyCTRFGLIOSOSMKH-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.85
Rot. Bonds3

About N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine

N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162649279) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162649279
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC NameN-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3/c1-12-10-16(20-15-9-5-8-14(18)11-15)21-17(19-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21)
InChIKeyCTRFGLIOSOSMKH-UHFFFAOYSA-N
XLogP4.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 162649279) is N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine is Cc1cc(Nc2cccc(Cl)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is CTRFGLIOSOSMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-12-10-16(20-15-9-5-8-14(18)11-15)21-17(19-12)13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 295.77 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162649279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).