2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

C15H21N3O3 — CID 102930650

IUPAC2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC3(CCNCC3)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H21N3O3/c19-12-7-13(18-14(17-12)10-1-2-10)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,1-6,8-9H2,(H,17,18,19)
InChIKeyMPYCIOYOVQNCKP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.94
Rot. Bonds3

About 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102930650) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102930650
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC3(CCNCC3)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H21N3O3/c19-12-7-13(18-14(17-12)10-1-2-10)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,1-6,8-9H2,(H,17,18,19)
InChIKeyMPYCIOYOVQNCKP-UHFFFAOYSA-N
XLogP0.94
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (CID 102930650) is 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2COC3(CCNCC3)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is MPYCIOYOVQNCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-12-7-13(18-14(17-12)10-1-2-10)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,1-6,8-9H2,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 291.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102930650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).