2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C13H15F2N3O2 — CID 138005041

IUPAC2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C13H15F2N3O2/c14-11(15)9-2-1-5-18(9)13(20)8-6-10(19)17-12(16-8)7-3-4-7/h6-7,9,11H,1-5H2,(H,16,17,19)/t9-/m1/s1
InChIKeyNRVQVQCPXBNTKZ-SECBINFHSA-N
MW283.28 g/mol
LogP1.52
Rot. Bonds3

About 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 138005041) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID138005041
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC[C@@H]1C(F)F
InChIInChI=1S/C13H15F2N3O2/c14-11(15)9-2-1-5-18(9)13(20)8-6-10(19)17-12(16-8)7-3-4-7/h6-7,9,11H,1-5H2,(H,16,17,19)/t9-/m1/s1
InChIKeyNRVQVQCPXBNTKZ-SECBINFHSA-N
XLogP1.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154868299
2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 166256963
4-[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 154867937
2-cyclopropyl-4-[(1S,5S)-1-methyl-2-azabicyclo[3.2.0]heptane-2-carbonyl]-1H-pyrimidin-6-one
CID 166283772
2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154865946
N-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)azetidin-3-yl]cyclopropanecarboxamide
CID 154865325
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 167966173
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 154851363
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154851362
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 154851341
2-cyclopropyl-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 154865335

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 138005041) is 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CCC[C@@H]1C(F)F.
What is the InChIKey of 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is NRVQVQCPXBNTKZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-11(15)9-2-1-5-18(9)13(20)8-6-10(19)17-12(16-8)7-3-4-7/h6-7,9,11H,1-5H2,(H,16,17,19)/t9-/m1/s1.
What are the key properties of 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 283.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138005041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).