1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol

C9H12ClN3O — CID 131048087

IUPAC1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
SMILESCCc1nc(Cl)cc(N2CC(O)C2)n1
InChIInChI=1S/C9H12ClN3O/c1-2-8-11-7(10)3-9(12-8)13-4-6(14)5-13/h3,6,14H,2,4-5H2,1H3
InChIKeyLHUXTCWCGSYFMG-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.87
Rot. Bonds2

About 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol

1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol (PubChem CID 131048087) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
PubChem CID131048087
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol
SMILESCCc1nc(Cl)cc(N2CC(O)C2)n1
InChIInChI=1S/C9H12ClN3O/c1-2-8-11-7(10)3-9(12-8)13-4-6(14)5-13/h3,6,14H,2,4-5H2,1H3
InChIKeyLHUXTCWCGSYFMG-UHFFFAOYSA-N
XLogP0.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol (CID 131048087) is 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol is CCc1nc(Cl)cc(N2CC(O)C2)n1.
What is the InChIKey of 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol?
The InChIKey is LHUXTCWCGSYFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-8-11-7(10)3-9(12-8)13-4-6(14)5-13/h3,6,14H,2,4-5H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol?
1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol has a molecular weight of 213.67 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylpyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 131048087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).