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

C14H22N4O — CID 136742762

IUPAC4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-11-16-12(8-13(19)17-11)18-7-3-5-14(10-18)4-2-6-15-9-14/h8,15H,2-7,9-10H2,1H3,(H,16,17,19)
InChIKeyATRVUEXYMRRMNL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.05
Rot. Bonds1

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

4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136742762) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136742762
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-11-16-12(8-13(19)17-11)18-7-3-5-14(10-18)4-2-6-15-9-14/h8,15H,2-7,9-10H2,1H3,(H,16,17,19)
InChIKeyATRVUEXYMRRMNL-UHFFFAOYSA-N
XLogP1.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.05
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-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one (CID 136742762) is 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCCC3(CCCNC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ATRVUEXYMRRMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-16-12(8-13(19)17-11)18-7-3-5-14(10-18)4-2-6-15-9-14/h8,15H,2-7,9-10H2,1H3,(H,16,17,19).
What are the key properties of 4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one?
4-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.05, 1 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136742762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).