2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide

C15H19N3O3S — CID 3240619

IUPAC2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-9-2-4-10(5-3-9)16-12(19)8-18-14(20)13-11(6-7-22-13)17-15(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,21)
InChIKeyVBXOBCIZKNNJQW-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.45
Rot. Bonds3

About 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide

2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 3240619) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
PubChem CID3240619
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)CC1
InChIInChI=1S/C15H19N3O3S/c1-9-2-4-10(5-3-9)16-12(19)8-18-14(20)13-11(6-7-22-13)17-15(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,21)
InChIKeyVBXOBCIZKNNJQW-UHFFFAOYSA-N
XLogP1.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3-ethyl-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetamide
CID 6486186
3-(3-Methoxy-propyl)-1-(4-methyl-benzyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 6486361
5-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)-N-(3-methylbutyl)pentanamide
CID 16195422
6-[1-[2-(diethylamino)-2-oxoethyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004607
6-[1-{2-[(3-methoxypropyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-phenylhexanamide
CID 12004821
6-(1-{[(Butan-2-YL)carbamoyl]methyl}-2,4-dioxo-1H,2H,3H,4H-thieno[3,2-D]pyrimidin-3-YL)-N-[(2-chlorophenyl)methyl]hexanamide
CID 15989109
2-[5,6-dimethyl-3-(3-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
CID 3362111
3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 2117383
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 3237000
N-cycloheptyl-2-(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)acetamide
CID 3239877
3-(4-methylphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 3240471
N-(2-methylcyclohexyl)-6-(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)hexanamide
CID 3670172

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide (CID 3240619) is 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2c(=O)[nH]c3ccsc3c2=O)CC1.
What is the InChIKey of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is VBXOBCIZKNNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-2-4-10(5-3-9)16-12(19)8-18-14(20)13-11(6-7-22-13)17-15(18)21/h6-7,9-10H,2-5,8H2,1H3,(H,16,19)(H,17,21).
What are the key properties of 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide?
2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 3240619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).