4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one

C14H19N3O2 — CID 136869792

IUPAC4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18)/t12-/m0/s1
InChIKeyKWQQUYFOGFSKMR-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds2

About 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one

4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136869792) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136869792
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN2C(=O)C2CCC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18)/t12-/m0/s1
InChIKeyKWQQUYFOGFSKMR-LBPRGKRZSA-N
XLogP1.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136804068
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
2-methyl-4-[(2S)-1-pyrazin-2-ylpyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136697556
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2R)-2-[2-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95820169
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
3-[2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]propanoic acid
CID 110090173
7-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-1,3-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631142

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 136869792) is 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CCCN2C(=O)C2CCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KWQQUYFOGFSKMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-15-11(8-13(18)16-9)12-6-3-7-17(12)14(19)10-4-2-5-10/h8,10,12H,2-7H2,1H3,(H,15,16,18)/t12-/m0/s1.
What are the key properties of 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 261.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136869792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).