4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine

C9H15N3 — CID 118486704

IUPAC4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(CN2CCC2)=NCN1
InChIInChI=1S/C9H15N3/c1-8-5-9(11-7-10-8)6-12-3-2-4-12/h5,10H,2-4,6-7H2,1H3
InChIKeyKFDYNJWCSIUTKD-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine

4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine (PubChem CID 118486704) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine
PubChem CID118486704
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine
SMILESCC1=CC(CN2CCC2)=NCN1
InChIInChI=1S/C9H15N3/c1-8-5-9(11-7-10-8)6-12-3-2-4-12/h5,10H,2-4,6-7H2,1H3
InChIKeyKFDYNJWCSIUTKD-UHFFFAOYSA-N
XLogP0.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine?
The IUPAC name of 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine (CID 118486704) is 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine is CC1=CC(CN2CCC2)=NCN1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine?
The InChIKey is KFDYNJWCSIUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-5-9(11-7-10-8)6-12-3-2-4-12/h5,10H,2-4,6-7H2,1H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine?
4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-6-methyl-1,2-dihydropyrimidine is sourced from PubChem (CID 118486704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).