[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine

C12H17N3O — CID 116902990

IUPAC[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2nccc(C3CCC3)n2)COC1
InChIInChI=1S/C12H17N3O/c13-6-12(7-16-8-12)11-14-5-4-10(15-11)9-2-1-3-9/h4-5,9H,1-3,6-8,13H2
InChIKeyBQKKDPFFXZIEKM-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.97
Rot. Bonds3

About [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine

[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine (PubChem CID 116902990) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
PubChem CID116902990
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine
SMILESNCC1(c2nccc(C3CCC3)n2)COC1
InChIInChI=1S/C12H17N3O/c13-6-12(7-16-8-12)11-14-5-4-10(15-11)9-2-1-3-9/h4-5,9H,1-3,6-8,13H2
InChIKeyBQKKDPFFXZIEKM-UHFFFAOYSA-N
XLogP0.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine (CID 116902990) is [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine is NCC1(c2nccc(C3CCC3)n2)COC1.
What is the InChIKey of [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine?
The InChIKey is BQKKDPFFXZIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-6-12(7-16-8-12)11-14-5-4-10(15-11)9-2-1-3-9/h4-5,9H,1-3,6-8,13H2.
What are the key properties of [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine?
[3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclobutylpyrimidin-2-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116902990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).