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

C17H14BrN3 — CID 162660368

IUPACN-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14BrN3/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)
InChIKeyPRMHXYGQIZPAEG-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.96
Rot. Bonds3

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

N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine (PubChem CID 162660368) has the molecular formula C17H14BrN3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine
PubChem CID162660368
Molecular FormulaC17H14BrN3
Molecular Weight340.22 g/mol
Exact Mass339.04
IUPAC NameN-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H14BrN3/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)
InChIKeyPRMHXYGQIZPAEG-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine (CID 162660368) is N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine is Cc1cc(Nc2cccc(Br)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is PRMHXYGQIZPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3/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-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine?
N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 340.22 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 162660368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).