4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine

C15H11BrN4 — CID 162665489

IUPAC4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccnc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H11BrN4/c16-12-5-1-3-10(7-12)13-8-14(20-15(17)19-13)11-4-2-6-18-9-11/h1-9H,(H2,17,19,20)
InChIKeySCVMHXFNRVDXRT-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.55
Rot. Bonds2

About 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine

4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 162665489) has the molecular formula C15H11BrN4 and a molecular weight of 327.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
PubChem CID162665489
Molecular FormulaC15H11BrN4
Molecular Weight327.19 g/mol
Exact Mass326.02
IUPAC Name4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
SMILESNc1nc(-c2cccnc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H11BrN4/c16-12-5-1-3-10(7-12)13-8-14(20-15(17)19-13)11-4-2-6-18-9-11/h1-9H,(H2,17,19,20)
InChIKeySCVMHXFNRVDXRT-UHFFFAOYSA-N
XLogP3.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine (CID 162665489) is 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine is Nc1nc(-c2cccnc2)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is SCVMHXFNRVDXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4/c16-12-5-1-3-10(7-12)13-8-14(20-15(17)19-13)11-4-2-6-18-9-11/h1-9H,(H2,17,19,20).
What are the key properties of 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine?
4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 327.19 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 162665489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).