[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine

C13H19N3O — CID 116896335

IUPAC[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine
SMILESCc1cc(C2CCC2)nc(C2(CN)COC2)n1
InChIInChI=1S/C13H19N3O/c1-9-5-11(10-3-2-4-10)16-12(15-9)13(6-14)7-17-8-13/h5,10H,2-4,6-8,14H2,1H3
InChIKeyOAXDHSZAIUJXQQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.28
Rot. Bonds3

About [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine

[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine (PubChem CID 116896335) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine
PubChem CID116896335
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine
SMILESCc1cc(C2CCC2)nc(C2(CN)COC2)n1
InChIInChI=1S/C13H19N3O/c1-9-5-11(10-3-2-4-10)16-12(15-9)13(6-14)7-17-8-13/h5,10H,2-4,6-8,14H2,1H3
InChIKeyOAXDHSZAIUJXQQ-UHFFFAOYSA-N
XLogP1.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine (CID 116896335) is [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine is Cc1cc(C2CCC2)nc(C2(CN)COC2)n1.
What is the InChIKey of [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The InChIKey is OAXDHSZAIUJXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-11(10-3-2-4-10)16-12(15-9)13(6-14)7-17-8-13/h5,10H,2-4,6-8,14H2,1H3.
What are the key properties of [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine?
[3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclobutyl-6-methylpyrimidin-2-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116896335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).