1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one

C9H13N3O — CID 130530942

IUPAC1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC2CNC2)c(=O)n1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(9(13)11-7)6-8-4-10-5-8/h2-3,8,10H,4-6H2,1H3
InChIKeyLZKAJUZSXKXCCF-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.23
Rot. Bonds2

About 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one

1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one (PubChem CID 130530942) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one
PubChem CID130530942
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one
SMILESCc1ccn(CC2CNC2)c(=O)n1
InChIInChI=1S/C9H13N3O/c1-7-2-3-12(9(13)11-7)6-8-4-10-5-8/h2-3,8,10H,4-6H2,1H3
InChIKeyLZKAJUZSXKXCCF-UHFFFAOYSA-N
XLogP-0.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Aminomethyl)-1-propylpyrimidin-2-one
CID 143039118
4-Methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 83669027
4-Methyl-1-[4-(2-methylpropylamino)butyl]pyrimidin-2-one
CID 114217447
1-[4-(Tert-butylamino)butyl]-4-methylpyrimidin-2-one
CID 114217451
1-(3-Amino-2,2-dimethylpropyl)-4-methylpyrimidin-2-one
CID 130909588

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one (CID 130530942) is 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one is Cc1ccn(CC2CNC2)c(=O)n1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one?
The InChIKey is LZKAJUZSXKXCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-3-12(9(13)11-7)6-8-4-10-5-8/h2-3,8,10H,4-6H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one?
1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one has a molecular weight of 179.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-methylpyrimidin-2-one is sourced from PubChem (CID 130530942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).