3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

C16H22N4O2S — CID 119532930

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1
InChIInChI=1S/C16H22N4O2S/c1-2-7-20(12-3-6-17-10-12)14(21)4-8-19-11-18-15-13(16(19)22)5-9-23-15/h5,9,11-12,17H,2-4,6-8,10H2,1H3
InChIKeyFNOITXMKFQDPNW-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.45
Rot. Bonds6

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119532930) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119532930
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1
InChIInChI=1S/C16H22N4O2S/c1-2-7-20(12-3-6-17-10-12)14(21)4-8-19-11-18-15-13(16(19)22)5-9-23-15/h5,9,11-12,17H,2-4,6-8,10H2,1H3
InChIKeyFNOITXMKFQDPNW-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554425
N-(2-hydroxyethyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 110886024
3-(3-oxo-3-piperazin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 62047764
N-methyl-N-(2-methylcyclohexyl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 134020391
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464279
3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 119207447
N-(1-aminopropan-2-yl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide;hydrochloride
CID 119584978
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 55595128
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 120741199
N-(3-hydroxybutyl)-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 111695480
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119532930) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCn1cnc2sccc2c1=O)C1CCNC1.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is FNOITXMKFQDPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-7-20(12-3-6-17-10-12)14(21)4-8-19-11-18-15-13(16(19)22)5-9-23-15/h5,9,11-12,17H,2-4,6-8,10H2,1H3.
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 334.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119532930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).