N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

C11H11N3O2S — CID 33277929

IUPACN-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NC1CC1
InChIInChI=1S/C11H11N3O2S/c15-9(13-7-1-2-7)5-14-6-12-8-3-4-17-10(8)11(14)16/h3-4,6-7H,1-2,5H2,(H,13,15)
InChIKeyNFQNXLOIQJIHCC-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.74
Rot. Bonds3

About N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide

N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 33277929) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID33277929
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NC1CC1
InChIInChI=1S/C11H11N3O2S/c15-9(13-7-1-2-7)5-14-6-12-8-3-4-17-10(8)11(14)16/h3-4,6-7H,1-2,5H2,(H,13,15)
InChIKeyNFQNXLOIQJIHCC-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 39014163
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 132936276
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
1-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
CID 30090161
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124
3-(cyclobutylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 115659168
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 51323480
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide (CID 33277929) is N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2ccsc2c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is NFQNXLOIQJIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9(13-7-1-2-7)5-14-6-12-8-3-4-17-10(8)11(14)16/h3-4,6-7H,1-2,5H2,(H,13,15).
What are the key properties of N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide?
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 249.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 33277929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).