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

C16H26N4O — CID 136742767

IUPAC4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H26N4O/c1-12(2)15-18-13(9-14(21)19-15)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,12,17H,3-8,10-11H2,1-2H3,(H,18,19,21)
InChIKeyWPGFPXXBCCLYLZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds2

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

4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136742767) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136742767
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H26N4O/c1-12(2)15-18-13(9-14(21)19-15)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,12,17H,3-8,10-11H2,1-2H3,(H,18,19,21)
InChIKeyWPGFPXXBCCLYLZ-UHFFFAOYSA-N
XLogP1.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136742767) is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WPGFPXXBCCLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)15-18-13(9-14(21)19-15)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,12,17H,3-8,10-11H2,1-2H3,(H,18,19,21).
What are the key properties of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 290.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136742767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).