N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine

C15H13N3S — CID 112559733

IUPACN-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S/c1-16-14-9-13(12-7-8-19-10-12)17-15(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyZFXFMZXOIHZUPZ-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.91
Rot. Bonds3

About N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine

N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine (PubChem CID 112559733) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
PubChem CID112559733
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccsc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S/c1-16-14-9-13(12-7-8-19-10-12)17-15(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18)
InChIKeyZFXFMZXOIHZUPZ-UHFFFAOYSA-N
XLogP3.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-6-(5-methylthiophen-3-yl)-2-phenylpyrimidin-4-amine
CID 115915115
2-(4-bromothiophen-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 63479339
6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
N-methyl-6-phenyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62192476
6-(3-chlorothiophen-2-yl)-N-ethyl-2-phenylpyrimidin-4-amine
CID 107361110
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
N-methyl-6-phenyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 62192127
6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
CID 112559672
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine (CID 112559733) is N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine is CNc1cc(-c2ccsc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is ZFXFMZXOIHZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-16-14-9-13(12-7-8-19-10-12)17-15(18-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine?
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 267.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 112559733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).