2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one

C11H15N3O — CID 84673327

IUPAC2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CNC2)ncc1C1CC1
InChIInChI=1S/C11H15N3O/c15-11-9(8-1-2-8)6-13-10(14-11)3-7-4-12-5-7/h6-8,12H,1-5H2,(H,13,14,15)
InChIKeyNITPOXGVYSVVDF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.41
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one

2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 84673327) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one
PubChem CID84673327
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CC2CNC2)ncc1C1CC1
InChIInChI=1S/C11H15N3O/c15-11-9(8-1-2-8)6-13-10(14-11)3-7-4-12-5-7/h6-8,12H,1-5H2,(H,13,14,15)
InChIKeyNITPOXGVYSVVDF-UHFFFAOYSA-N
XLogP0.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
2,5-dipropyl-1H-pyrimidin-6-one
CID 165101826
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304193
5-(3-aminopropyl)-2-methyl-1H-pyrimidin-6-one
CID 82503022
5-(2-aminoethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 83851876
5-(2-aminoethyl)-2-cyclobutyl-1H-pyrimidin-6-one
CID 83852006
2-cyclopropyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 83878468

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one (CID 84673327) is 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one is O=c1[nH]c(CC2CNC2)ncc1C1CC1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is NITPOXGVYSVVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-9(8-1-2-8)6-13-10(14-11)3-7-4-12-5-7/h6-8,12H,1-5H2,(H,13,14,15).
What are the key properties of 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one?
2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 205.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-5-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84673327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).