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

C12H15N3O2S — CID 47137735

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-2-5-13-10(16)3-6-15-8-14-11-9(12(15)17)4-7-18-11/h4,7-8H,2-3,5-6H2,1H3,(H,13,16)
InChIKeyFCIQFBBWEKRDKY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.37
Rot. Bonds5

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

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide (PubChem CID 47137735) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
PubChem CID47137735
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C12H15N3O2S/c1-2-5-13-10(16)3-6-15-8-14-11-9(12(15)17)4-7-18-11/h4,7-8H,2-3,5-6H2,1H3,(H,13,16)
InChIKeyFCIQFBBWEKRDKY-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 39467752
6-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 119220091
2-[2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119242258
N-[2-(4-methoxyphenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017281
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448926
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 94115436
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25487216
(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267
5-(4-oxothieno[2,3-d]pyrimidin-3-yl)pentanehydrazide
CID 63578956
N-[(1-hydroxycyclohexyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111446065
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide (CID 47137735) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide is CCCNC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide?
The InChIKey is FCIQFBBWEKRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-5-13-10(16)3-6-15-8-14-11-9(12(15)17)4-7-18-11/h4,7-8H,2-3,5-6H2,1H3,(H,13,16).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide has a molecular weight of 265.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide is sourced from PubChem (CID 47137735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).