2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

C13H14N4O2S — CID 136816696

IUPAC2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCN(C(=O)c3cscn3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H14N4O2S/c1-8-15-10(4-12(18)16-8)9-2-3-17(5-9)13(19)11-6-20-7-14-11/h4,6-7,9H,2-3,5H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyUARCCOFMDFVYQE-VIFPVBQESA-N
MW290.35 g/mol
LogP1.16
Rot. Bonds2

About 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136816696) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136816696
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc([C@H]2CCN(C(=O)c3cscn3)C2)cc(=O)[nH]1
InChIInChI=1S/C13H14N4O2S/c1-8-15-10(4-12(18)16-8)9-2-3-17(5-9)13(19)11-6-20-7-14-11/h4,6-7,9H,2-3,5H2,1H3,(H,15,16,18)/t9-/m0/s1
InChIKeyUARCCOFMDFVYQE-VIFPVBQESA-N
XLogP1.16
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
2-methyl-4-[(3S)-1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696802
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
2-(dimethylamino)-4-[(3R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136821108
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824390
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136816696) is 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is Cc1nc([C@H]2CCN(C(=O)c3cscn3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is UARCCOFMDFVYQE-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8-15-10(4-12(18)16-8)9-2-3-17(5-9)13(19)11-6-20-7-14-11/h4,6-7,9H,2-3,5H2,1H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 290.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136816696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).