4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C14H19N3O3 — CID 136860377

IUPAC4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCOC2)n1
InChIInChI=1S/C14H19N3O3/c1-9-7-12(18)16-13(15-9)11-3-2-5-17(11)14(19)10-4-6-20-8-10/h7,10-11H,2-6,8H2,1H3,(H,15,16,18)/t10-,11-/m1/s1
InChIKeyLRTRPLHIOONJGV-GHMZBOCLSA-N
MW277.32 g/mol
LogP0.78
Rot. Bonds2

About 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136860377) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136860377
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCOC2)n1
InChIInChI=1S/C14H19N3O3/c1-9-7-12(18)16-13(15-9)11-3-2-5-17(11)14(19)10-4-6-20-8-10/h7,10-11H,2-6,8H2,1H3,(H,15,16,18)/t10-,11-/m1/s1
InChIKeyLRTRPLHIOONJGV-GHMZBOCLSA-N
XLogP0.78
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
5,6-dimethyl-2-[1-(oxolane-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216099
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 135963718
6-[(3-methylthiophen-2-yl)methyl]-2-[1-(oxolane-3-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795898
6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763426
6-(cyclohexylmethyl)-2-[(2S)-1-[(3S)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137090352
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
2-[(3R)-1-[(3S)-oxolane-3-carbonyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820939
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136860377) is 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@H]2CCCN2C(=O)[C@@H]2CCOC2)n1.
What is the InChIKey of 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is LRTRPLHIOONJGV-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-7-12(18)16-13(15-9)11-3-2-5-17(11)14(19)10-4-6-20-8-10/h7,10-11H,2-6,8H2,1H3,(H,15,16,18)/t10-,11-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 277.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).