2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one

C16H13N3O2S — CID 136790926

IUPAC2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1C[C@@H](c2nc3ccsc3c(=O)[nH]2)CN1c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-13-8-10(9-19(13)11-4-2-1-3-5-11)15-17-12-6-7-22-14(12)16(21)18-15/h1-7,10H,8-9H2,(H,17,18,21)/t10-/m1/s1
InChIKeyWRWFWESXZKYDLG-SNVBAGLBSA-N
MW311.37 g/mol
LogP2.51
Rot. Bonds2

About 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one

2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136790926) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136790926
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1C[C@@H](c2nc3ccsc3c(=O)[nH]2)CN1c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-13-8-10(9-19(13)11-4-2-1-3-5-11)15-17-12-6-7-22-14(12)16(21)18-15/h1-7,10H,8-9H2,(H,17,18,21)/t10-/m1/s1
InChIKeyWRWFWESXZKYDLG-SNVBAGLBSA-N
XLogP2.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080677
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
(4S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-phenylpyrrolidin-2-one
CID 96571549
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 136790926) is 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one is O=C1C[C@@H](c2nc3ccsc3c(=O)[nH]2)CN1c1ccccc1.
What is the InChIKey of 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WRWFWESXZKYDLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-13-8-10(9-19(13)11-4-2-1-3-5-11)15-17-12-6-7-22-14(12)16(21)18-15/h1-7,10H,8-9H2,(H,17,18,21)/t10-/m1/s1.
What are the key properties of 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 311.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136790926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).