(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone

C15H11N3OS — CID 46939542

IUPAC(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone
SMILESNc1sc(-c2cncnc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11N3OS/c16-15-12(14(19)10-4-2-1-3-5-10)6-13(20-15)11-7-17-9-18-8-11/h1-9H,16H2
InChIKeyARHZEENWJJTOJB-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.02
Rot. Bonds3

About (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone

(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone (PubChem CID 46939542) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone
PubChem CID46939542
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone
SMILESNc1sc(-c2cncnc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C15H11N3OS/c16-15-12(14(19)10-4-2-1-3-5-10)6-13(20-15)11-7-17-9-18-8-11/h1-9H,16H2
InChIKeyARHZEENWJJTOJB-UHFFFAOYSA-N
XLogP3.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone (CID 46939542) is (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone is Nc1sc(-c2cncnc2)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone?
The InChIKey is ARHZEENWJJTOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-15-12(14(19)10-4-2-1-3-5-10)6-13(20-15)11-7-17-9-18-8-11/h1-9H,16H2.
What are the key properties of (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone?
(2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone has a molecular weight of 281.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-pyrimidin-5-ylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 46939542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).