2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one

C16H24N4O — CID 136742759

IUPAC2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(CCCNC3)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H24N4O/c21-14-9-13(18-15(19-14)12-3-4-12)20-8-2-6-16(11-20)5-1-7-17-10-16/h9,12,17H,1-8,10-11H2,(H,18,19,21)
InChIKeyDWSWNLFORCWCJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds2

About 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136742759) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
PubChem CID136742759
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(CCCNC3)C2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H24N4O/c21-14-9-13(18-15(19-14)12-3-4-12)20-8-2-6-16(11-20)5-1-7-17-10-16/h9,12,17H,1-8,10-11H2,(H,18,19,21)
InChIKeyDWSWNLFORCWCJV-UHFFFAOYSA-N
XLogP1.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (CID 136742759) is 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCCC3(CCCNC3)C2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is DWSWNLFORCWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-14-9-13(18-15(19-14)12-3-4-12)20-8-2-6-16(11-20)5-1-7-17-10-16/h9,12,17H,1-8,10-11H2,(H,18,19,21).
What are the key properties of 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 288.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136742759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).