2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one

C14H16N4O3 — CID 154851341

IUPAC2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)C2)N1
InChIInChI=1S/C14H16N4O3/c19-10-3-4-14(17-10)6-18(7-14)13(21)9-5-11(20)16-12(15-9)8-1-2-8/h5,8H,1-4,6-7H2,(H,17,19)(H,15,16,20)
InChIKeyBDCCPBORUNERRZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.25
Rot. Bonds2

About 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one

2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 154851341) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
PubChem CID154851341
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one
SMILESO=C1CCC2(CN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)C2)N1
InChIInChI=1S/C14H16N4O3/c19-10-3-4-14(17-10)6-18(7-14)13(21)9-5-11(20)16-12(15-9)8-1-2-8/h5,8H,1-4,6-7H2,(H,17,19)(H,15,16,20)
InChIKeyBDCCPBORUNERRZ-UHFFFAOYSA-N
XLogP-0.25
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
CID 154851363
4-(8-acetyl-5-oxa-2,8-diazaspiro[3.5]nonane-2-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 167966173
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
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)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154851362
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
2-cyclopropyl-4-(1,2,5-triazepane-5-carbonyl)-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154868299
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
2-cyclopropyl-4-[(2R)-2-(difluoromethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 138005041
2-(4-bromo-2-methylbenzoyl)-2,5-diazaspiro[3.4]octan-6-one
CID 137456057

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one (CID 154851341) is 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one is O=C1CCC2(CN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)C2)N1.
What is the InChIKey of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is BDCCPBORUNERRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-10-3-4-14(17-10)6-18(7-14)13(21)9-5-11(20)16-12(15-9)8-1-2-8/h5,8H,1-4,6-7H2,(H,17,19)(H,15,16,20).
What are the key properties of 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one?
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 288.31 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 154851341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).