3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one

C13H19N3O — CID 141283369

IUPAC3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one
SMILESO=c1ccncn1C1CCC(N2CCC2)CC1
InChIInChI=1S/C13H19N3O/c17-13-6-7-14-10-16(13)12-4-2-11(3-5-12)15-8-1-9-15/h6-7,10-12H,1-5,8-9H2
InChIKeyPHVVLOPAIWRMRC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds2

About 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one

3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one (PubChem CID 141283369) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one
PubChem CID141283369
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one
SMILESO=c1ccncn1C1CCC(N2CCC2)CC1
InChIInChI=1S/C13H19N3O/c17-13-6-7-14-10-16(13)12-4-2-11(3-5-12)15-8-1-9-15/h6-7,10-12H,1-5,8-9H2
InChIKeyPHVVLOPAIWRMRC-UHFFFAOYSA-N
XLogP1.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclohexyl-3,4-dihydropyrimidin-4-one
CID 58589517
3-Tridecan-6-ylpyrimidin-4-one
CID 166789315
3-Cyclohexyl-2-methylpyrimidin-4-one
CID 174577146
3-[3-(Cyclohexylamino)propyl]pyrimidin-4-one
CID 63795616
3-[2-(1-Methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107914211
3-Hexylpyrimidin-4-one
CID 115696867
3-[(1-Methylpiperidin-2-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 126857502

Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one?
The IUPAC name of 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one (CID 141283369) is 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one?
The canonical SMILES for 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one is O=c1ccncn1C1CCC(N2CCC2)CC1.
What is the InChIKey of 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one?
The InChIKey is PHVVLOPAIWRMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-6-7-14-10-16(13)12-4-2-11(3-5-12)15-8-1-9-15/h6-7,10-12H,1-5,8-9H2.
What are the key properties of 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one?
3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-1-yl)cyclohexyl]pyrimidin-4-one is sourced from PubChem (CID 141283369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).