8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one

C15H18N4O4 — CID 154851363

IUPAC8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CO1
InChIInChI=1S/C15H18N4O4/c20-11-7-10(16-12(17-11)9-1-2-9)13(21)19-5-3-15(4-6-19)8-23-14(22)18-15/h7,9H,1-6,8H2,(H,18,22)(H,16,17,20)
InChIKeyLHZKVUUNTWTVDI-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.36
Rot. Bonds2

About 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one

8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 154851363) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
PubChem CID154851363
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CO1
InChIInChI=1S/C15H18N4O4/c20-11-7-10(16-12(17-11)9-1-2-9)13(21)19-5-3-15(4-6-19)8-23-14(22)18-15/h7,9H,1-6,8H2,(H,18,22)(H,16,17,20)
InChIKeyLHZKVUUNTWTVDI-UHFFFAOYSA-N
XLogP0.36
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one (CID 154851363) is 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(C(=O)c3cc(=O)[nH]c(C4CC4)n3)CC2)CO1.
What is the InChIKey of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LHZKVUUNTWTVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-11-7-10(16-12(17-11)9-1-2-9)13(21)19-5-3-15(4-6-19)8-23-14(22)18-15/h7,9H,1-6,8H2,(H,18,22)(H,16,17,20).
What are the key properties of 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one?
8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-oxa-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 154851363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).