2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C16H20N4O2S — CID 136707469

IUPAC2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-10-12(15(22)19-11(2)18-10)9-14(21)20-7-4-3-5-13(20)16-17-6-8-23-16/h6,8,13H,3-5,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1
InChIKeyLWLUCURLRUUODN-CYBMUJFWSA-N
MW332.43 g/mol
LogP2.14
Rot. Bonds3

About 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136707469) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136707469
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-10-12(15(22)19-11(2)18-10)9-14(21)20-7-4-3-5-13(20)16-17-6-8-23-16/h6,8,13H,3-5,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1
InChIKeyLWLUCURLRUUODN-CYBMUJFWSA-N
XLogP2.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 136707469) is 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2nccs2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is LWLUCURLRUUODN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-12(15(22)19-11(2)18-10)9-14(21)20-7-4-3-5-13(20)16-17-6-8-23-16/h6,8,13H,3-5,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 332.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136707469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).