1-(5-methoxypyrimidin-2-yl)azetidin-3-ol

C8H11N3O2 — CID 118346552

IUPAC1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
SMILESCOc1cnc(N2CC(O)C2)nc1
InChIInChI=1S/C8H11N3O2/c1-13-7-2-9-8(10-3-7)11-4-6(12)5-11/h2-3,6,12H,4-5H2,1H3
InChIKeyFCGOOXDDICYZIQ-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.33
Rot. Bonds2

About 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol

1-(5-methoxypyrimidin-2-yl)azetidin-3-ol (PubChem CID 118346552) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
PubChem CID118346552
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
SMILESCOc1cnc(N2CC(O)C2)nc1
InChIInChI=1S/C8H11N3O2/c1-13-7-2-9-8(10-3-7)11-4-6(12)5-11/h2-3,6,12H,4-5H2,1H3
InChIKeyFCGOOXDDICYZIQ-UHFFFAOYSA-N
XLogP-0.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
(3S,4R)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine
CID 133134026
(3R,4S)-1-(5-methoxypyrimidin-2-yl)-4-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 154898279
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
CID 172899246
1-pyrimidin-2-ylazetidin-3-ol;hydrochloride
CID 155858524
1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318
[(3aS,4R,5R,6S,7S,7aR)-6-amino-7-hydroxy-2-(5-methoxypyrimidin-2-yl)-5-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]-piperidin-1-ylmethanone
CID 165422786
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318
1-(5-methoxypyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 114601002
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605954
4-[5-(5-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155974534

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol (CID 118346552) is 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol is COc1cnc(N2CC(O)C2)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol?
The InChIKey is FCGOOXDDICYZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-7-2-9-8(10-3-7)11-4-6(12)5-11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol?
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol has a molecular weight of 181.19 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)azetidin-3-ol is sourced from PubChem (CID 118346552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).