N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide

C12H15N3O3S — CID 74233606

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2C=CS(=O)(=O)C2)cn1
InChIInChI=1S/C12H15N3O3S/c1-8(2)11-13-5-9(6-14-11)12(16)15-10-3-4-19(17,18)7-10/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyHLLKTTPIVYWXHI-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.64
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 74233606) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID74233606
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2C=CS(=O)(=O)C2)cn1
InChIInChI=1S/C12H15N3O3S/c1-8(2)11-13-5-9(6-14-11)12(16)15-10-3-4-19(17,18)7-10/h3-6,8,10H,7H2,1-2H3,(H,15,16)
InChIKeyHLLKTTPIVYWXHI-UHFFFAOYSA-N
XLogP0.64
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-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

Related Compounds

2-ethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-5-pyrimidinecarboxamide
CID 72918635
2-(ethylamino)-N-(tetrahydro-3-thienyl)-5-pyrimidinecarboxamide
CID 72932963
2-ethyl-N-[2-(isobutylsulfonyl)ethyl]-5-pyrimidinecarboxamide
CID 72879630
2-isopropyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}pyrimidine-5-carboxamide
CID 74232485
4-[(2-Isopropylpyrimidin-5-yl)carbonyl]thiomorpholine 1,1-dioxide
CID 74246919
4-amino-2-methyl-N-[(2S,3S)-2-methyl-1,1-dioxothiolan-3-yl]pyrimidine-5-carboxamide
CID 138035664
N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)pyrimidine-5-carboxamide
CID 176888863
2-ethyl-N-{2-[(trifluoromethyl)thio]ethyl}pyrimidine-5-carboxamide
CID 74241686
N-{2-[(dimethylamino)sulfonyl]ethyl}-2-(methylthio)pyrimidine-5-carboxamide
CID 56880491
N-[3-(cyclohexylthio)propyl]-2-isopropylpyrimidine-5-carboxamide
CID 74239130
2-methylsulfonyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 69347367
N-(2-sulfamoylethyl)pyrimidine-5-carboxamide
CID 104632660

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide (CID 74233606) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC2C=CS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HLLKTTPIVYWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-8(2)11-13-5-9(6-14-11)12(16)15-10-3-4-19(17,18)7-10/h3-6,8,10H,7H2,1-2H3,(H,15,16).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74233606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).