6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H15N3O2S — CID 2837423

IUPAC6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C16H15N3O2S/c1-10-13(15(20)18-11-6-3-2-4-7-11)14(19-16(21)17-10)12-8-5-9-22-12/h2-9,14H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyOHOBHXVFMGBAEP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.01
Rot. Bonds3

About 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide

6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2837423) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2837423
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccs2)NC(=O)N1
InChIInChI=1S/C16H15N3O2S/c1-10-13(15(20)18-11-6-3-2-4-7-11)14(19-16(21)17-10)12-8-5-9-22-12/h2-9,14H,1H3,(H,18,20)(H2,17,19,21)
InChIKeyOHOBHXVFMGBAEP-UHFFFAOYSA-N
XLogP3.01
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide 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 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2837423) is 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)NC(=O)N1.
What is the InChIKey of 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is OHOBHXVFMGBAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-13(15(20)18-11-6-3-2-4-7-11)14(19-16(21)17-10)12-8-5-9-22-12/h2-9,14H,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2837423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).