3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C13H18N6O — CID 91769346

IUPAC3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17)
InChIKeyIEJSZBBHRDXLSI-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.73
Rot. Bonds5

About 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91769346) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91769346
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17)
InChIKeyIEJSZBBHRDXLSI-UHFFFAOYSA-N
XLogP0.73
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91769346) is 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is IEJSZBBHRDXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17).
What are the key properties of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 274.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91769346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).