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

C12H15N3O2S — CID 162643017

IUPACN-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)C1=C(C)NC(=O)NC1c1cccs1
InChIInChI=1S/C12H15N3O2S/c1-3-13-11(16)9-7(2)14-12(17)15-10(9)8-5-4-6-18-8/h4-6,10H,3H2,1-2H3,(H,13,16)(H2,14,15,17)
InChIKeyWDFKEAXZBKJIOZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.51
Rot. Bonds3

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

N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 162643017) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID162643017
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCNC(=O)C1=C(C)NC(=O)NC1c1cccs1
InChIInChI=1S/C12H15N3O2S/c1-3-13-11(16)9-7(2)14-12(17)15-10(9)8-5-4-6-18-8/h4-6,10H,3H2,1-2H3,(H,13,16)(H2,14,15,17)
InChIKeyWDFKEAXZBKJIOZ-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-ethyl-6-methyl-2-oxo-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 N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 162643017) is N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCNC(=O)C1=C(C)NC(=O)NC1c1cccs1.
What is the InChIKey of N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is WDFKEAXZBKJIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-13-11(16)9-7(2)14-12(17)15-10(9)8-5-4-6-18-8/h4-6,10H,3H2,1-2H3,(H,13,16)(H2,14,15,17).
What are the key properties of N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162643017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).