2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

C15H12BrN3S — CID 63479339

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H12BrN3S/c1-17-14-8-12(10-5-3-2-4-6-10)18-15(19-14)13-7-11(16)9-20-13/h2-9H,1H3,(H,17,18,19)
InChIKeyJVRYCDSPWRPLKL-UHFFFAOYSA-N
MW346.25 g/mol
LogP4.68
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine

2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (PubChem CID 63479339) has the molecular formula C15H12BrN3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
PubChem CID63479339
Molecular FormulaC15H12BrN3S
Molecular Weight346.25 g/mol
Exact Mass344.99
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
SMILESCNc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1
InChIInChI=1S/C15H12BrN3S/c1-17-14-8-12(10-5-3-2-4-6-10)18-15(19-14)13-7-11(16)9-20-13/h2-9H,1H3,(H,17,18,19)
InChIKeyJVRYCDSPWRPLKL-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine (CID 63479339) is 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is CNc1cc(-c2ccccc2)nc(-c2cc(Br)cs2)n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is JVRYCDSPWRPLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3S/c1-17-14-8-12(10-5-3-2-4-6-10)18-15(19-14)13-7-11(16)9-20-13/h2-9H,1H3,(H,17,18,19).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine?
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 346.25 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 63479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).