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

C14H20N6O — CID 91772848

IUPAC3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2ncnn2C)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H20N6O/c1-9-18-12(10-5-11(21)6-10)7-13(19-9)15-4-3-14-16-8-17-20(14)2/h7-8,10-11,21H,3-6H2,1-2H3,(H,15,18,19)
InChIKeyBLSZNJHQDUZCBP-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.81
Rot. Bonds5

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

3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91772848) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91772848
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2ncnn2C)cc(C2CC(O)C2)n1
InChIInChI=1S/C14H20N6O/c1-9-18-12(10-5-11(21)6-10)7-13(19-9)15-4-3-14-16-8-17-20(14)2/h7-8,10-11,21H,3-6H2,1-2H3,(H,15,18,19)
InChIKeyBLSZNJHQDUZCBP-UHFFFAOYSA-N
XLogP0.81
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.81
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-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91772848) is 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCc2ncnn2C)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is BLSZNJHQDUZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-18-12(10-5-11(21)6-10)7-13(19-9)15-4-3-14-16-8-17-20(14)2/h7-8,10-11,21H,3-6H2,1-2H3,(H,15,18,19).
What are the key properties of 3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 288.36 g/mol, XLogP of 0.81, 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-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91772848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).