[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate

C18H19N3O4 — CID 136697436

IUPAC[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)O[C@@H]1CCCCC1=O
InChIInChI=1S/C18H19N3O4/c1-11-12(10-16(23)25-15-8-3-2-7-14(15)22)18(24)21-17(20-11)13-6-4-5-9-19-13/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,20,21,24)/t15-/m1/s1
InChIKeyQPUIDPIQXJBWER-OAHLLOKOSA-N
MW341.37 g/mol
LogP1.74
Rot. Bonds4

About [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate

[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate (PubChem CID 136697436) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate.

Molecular Properties

Compound Name[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
PubChem CID136697436
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate
SMILESCc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)O[C@@H]1CCCCC1=O
InChIInChI=1S/C18H19N3O4/c1-11-12(10-16(23)25-15-8-3-2-7-14(15)22)18(24)21-17(20-11)13-6-4-5-9-19-13/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,20,21,24)/t15-/m1/s1
InChIKeyQPUIDPIQXJBWER-OAHLLOKOSA-N
XLogP1.74
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate with MolForge

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Related Compounds

4-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136766353
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135977009
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 136727792
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 136872605
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 135960467
N-[(1R)-1-(furan-2-yl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 136872611
[(1R)-2-oxocyclohexyl] 2-(4-benzoylphenoxy)acetate
CID 7839651
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetamide
CID 135960543
4-methyl-5-[2-[[6-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]oxy]ethyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 146396122
5-(cyclopropylmethyl)-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135473160
[(1R)-2-oxocyclohexyl] 2,4-dimethylquinoline-3-carboxylate
CID 8824964

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate?
The IUPAC name of [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate (CID 136697436) is [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate.
What is the SMILES notation for [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate?
The canonical SMILES for [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate is Cc1nc(-c2ccccn2)[nH]c(=O)c1CC(=O)O[C@@H]1CCCCC1=O.
What is the InChIKey of [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate?
The InChIKey is QPUIDPIQXJBWER-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11-12(10-16(23)25-15-8-3-2-7-14(15)22)18(24)21-17(20-11)13-6-4-5-9-19-13/h4-6,9,15H,2-3,7-8,10H2,1H3,(H,20,21,24)/t15-/m1/s1.
What are the key properties of [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate?
[(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate has a molecular weight of 341.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclohexyl] 2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate is sourced from PubChem (CID 136697436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).