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

C13H19ClN4O — CID 136742764

IUPAC5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCC3(CCCNC3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-10-11(16-9-17-12(10)19)18-6-2-4-13(8-18)3-1-5-15-7-13/h9,15H,1-8H2,(H,16,17,19)
InChIKeyKQOVOWCZRKISNP-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.39
Rot. Bonds1

About 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136742764) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
PubChem CID136742764
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCCC3(CCCNC3)C2)c1Cl
InChIInChI=1S/C13H19ClN4O/c14-10-11(16-9-17-12(10)19)18-6-2-4-13(8-18)3-1-5-15-7-13/h9,15H,1-8H2,(H,16,17,19)
InChIKeyKQOVOWCZRKISNP-UHFFFAOYSA-N
XLogP1.39
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methyl-4-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-1H-pyrimidin-6-one
CID 164641320
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
5-amino-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742761
5-bromo-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742763
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136742765
4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742766
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330
5-chloro-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805366
5-chloro-4-[(1,4-dimethylpiperidin-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136912693
4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136961740
4-[3-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972881
4-[4-(aminomethyl)piperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972891

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one (CID 136742764) is 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCCC3(CCCNC3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KQOVOWCZRKISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-10-11(16-9-17-12(10)19)18-6-2-4-13(8-18)3-1-5-15-7-13/h9,15H,1-8H2,(H,16,17,19).
What are the key properties of 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 282.77 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136742764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).