4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one

C16H20N4O4 — CID 167966173

IUPAC4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCOC2(C1)CN(C(=O)c1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C16H20N4O4/c1-10(21)19-4-5-24-16(7-19)8-20(9-16)15(23)12-6-13(22)18-14(17-12)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,18,22)
InChIKeyGTYOYCPHVYHYSA-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.28
Rot. Bonds2

About 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 167966173) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID167966173
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(=O)N1CCOC2(C1)CN(C(=O)c1cc(=O)[nH]c(C3CC3)n1)C2
InChIInChI=1S/C16H20N4O4/c1-10(21)19-4-5-24-16(7-19)8-20(9-16)15(23)12-6-13(22)18-14(17-12)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,18,22)
InChIKeyGTYOYCPHVYHYSA-UHFFFAOYSA-N
XLogP-0.28
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
CID 154851341
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154851362
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
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 154851363
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
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-cyclopropyl-4-[(1S,5S)-1-methyl-2-azabicyclo[3.2.0]heptane-2-carbonyl]-1H-pyrimidin-6-one
CID 166283772
2-cyclopropyl-4-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 166256963
N-[1-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)azetidin-3-yl]cyclopropanecarboxamide
CID 154865325
N-methyl-2-(oxan-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 146152825
N-[3-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]morpholine-4-carboxamide
CID 136664963

Frequently Asked Questions

What is the IUPAC name of 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 167966173) is 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one is CC(=O)N1CCOC2(C1)CN(C(=O)c1cc(=O)[nH]c(C3CC3)n1)C2.
What is the InChIKey of 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is GTYOYCPHVYHYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-10(21)19-4-5-24-16(7-19)8-20(9-16)15(23)12-6-13(22)18-14(17-12)11-2-3-11/h6,11H,2-5,7-9H2,1H3,(H,17,18,22).
What are the key properties of 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 332.36 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167966173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).