2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

C15H18N4O3 — CID 166256963

IUPAC2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CC(N2CCCC2=O)C1
InChIInChI=1S/C15H18N4O3/c20-12-6-11(16-14(17-12)9-3-4-9)15(22)18-7-10(8-18)19-5-1-2-13(19)21/h6,9-10H,1-5,7-8H2,(H,16,17,20)
InChIKeyXPYCHBLXRWMIIS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.09
Rot. Bonds3

About 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 166256963) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID166256963
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESO=C(c1cc(=O)[nH]c(C2CC2)n1)N1CC(N2CCCC2=O)C1
InChIInChI=1S/C15H18N4O3/c20-12-6-11(16-14(17-12)9-3-4-9)15(22)18-7-10(8-18)19-5-1-2-13(19)21/h6,9-10H,1-5,7-8H2,(H,16,17,20)
InChIKeyXPYCHBLXRWMIIS-UHFFFAOYSA-N
XLogP0.09
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)azetidin-3-yl]cyclopropanecarboxamide
CID 154865325
2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154868299
2-cyclopropyl-4-[4-(1,2-oxazol-3-yl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 154865946
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 154851341
2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138005041
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)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154851362
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 154851363
2-cyclopropyl-4-[(1S,5S)-1-methyl-2-azabicyclo[3.2.0]heptane-2-carbonyl]-1H-pyrimidin-6-one
CID 166283772
2-cyclopropyl-6-oxo-N-[1-[(2R)-oxolane-2-carbonyl]azetidin-3-yl]-1H-pyrimidine-4-carboxamide
CID 167885804

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one (CID 166256963) is 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is O=C(c1cc(=O)[nH]c(C2CC2)n1)N1CC(N2CCCC2=O)C1.
What is the InChIKey of 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is XPYCHBLXRWMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-12-6-11(16-14(17-12)9-3-4-9)15(22)18-7-10(8-18)19-5-1-2-13(19)21/h6,9-10H,1-5,7-8H2,(H,16,17,20).
What are the key properties of 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 166256963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).