1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

C13H18N6O — CID 138008308

IUPAC1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCCc1cc(C)nc(N2CC(O)(c3cnnn3C)C2)n1
InChIInChI=1S/C13H18N6O/c1-4-10-5-9(2)15-12(16-10)19-7-13(20,8-19)11-6-14-17-18(11)3/h5-6,20H,4,7-8H2,1-3H3
InChIKeyNMWUKHNDCNAOLH-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.18
Rot. Bonds3

About 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (PubChem CID 138008308) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
PubChem CID138008308
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCCc1cc(C)nc(N2CC(O)(c3cnnn3C)C2)n1
InChIInChI=1S/C13H18N6O/c1-4-10-5-9(2)15-12(16-10)19-7-13(20,8-19)11-6-14-17-18(11)3/h5-6,20H,4,7-8H2,1-3H3
InChIKeyNMWUKHNDCNAOLH-UHFFFAOYSA-N
XLogP0.18
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The IUPAC name of 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (CID 138008308) is 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is CCc1cc(C)nc(N2CC(O)(c3cnnn3C)C2)n1.
What is the InChIKey of 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The InChIKey is NMWUKHNDCNAOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-4-10-5-9(2)15-12(16-10)19-7-13(20,8-19)11-6-14-17-18(11)3/h5-6,20H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol has a molecular weight of 274.33 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is sourced from PubChem (CID 138008308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).