5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

C16H16N4O3S — CID 126437388

IUPAC5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CCCN2C(=O)c2sc3nc[nH]c(=O)c3c2C)on1
InChIInChI=1S/C16H16N4O3S/c1-8-6-11(23-19-8)10-4-3-5-20(10)16(22)13-9(2)12-14(21)17-7-18-15(12)24-13/h6-7,10H,3-5H2,1-2H3,(H,17,18,21)/t10-/m1/s1
InChIKeyGWWKQORMUPOKKY-SNVBAGLBSA-N
MW344.40 g/mol
LogP2.57
Rot. Bonds2

About 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 126437388) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID126437388
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc([C@H]2CCCN2C(=O)c2sc3nc[nH]c(=O)c3c2C)on1
InChIInChI=1S/C16H16N4O3S/c1-8-6-11(23-19-8)10-4-3-5-20(10)16(22)13-9(2)12-14(21)17-7-18-15(12)24-13/h6-7,10H,3-5H2,1-2H3,(H,17,18,21)/t10-/m1/s1
InChIKeyGWWKQORMUPOKKY-SNVBAGLBSA-N
XLogP2.57
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-6-[(2S)-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 98061913
6-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 74238277
2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 55849415
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
ethyl 2-[1-(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 56912268
5-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrimidin-6-one
CID 70738062
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 103775189
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950850
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849
(4-amino-1H-pyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 55178599
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 126437388) is 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc([C@H]2CCCN2C(=O)c2sc3nc[nH]c(=O)c3c2C)on1.
What is the InChIKey of 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GWWKQORMUPOKKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-8-6-11(23-19-8)10-4-3-5-20(10)16(22)13-9(2)12-14(21)17-7-18-15(12)24-13/h6-7,10H,3-5H2,1-2H3,(H,17,18,21)/t10-/m1/s1.
What are the key properties of 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 344.40 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 126437388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).