5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine

C15H22N6O — CID 74248066

IUPAC5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCCCCn1nc(C2CCOC2)nc1-c1cnc(NC)nc1
InChIInChI=1S/C15H22N6O/c1-3-4-6-21-14(12-8-17-15(16-2)18-9-12)19-13(20-21)11-5-7-22-10-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18)
InChIKeyFYEAPJXCCUUSPQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds6

About 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine

5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 74248066) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine
PubChem CID74248066
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine
SMILESCCCCn1nc(C2CCOC2)nc1-c1cnc(NC)nc1
InChIInChI=1S/C15H22N6O/c1-3-4-6-21-14(12-8-17-15(16-2)18-9-12)19-13(20-21)11-5-7-22-10-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18)
InChIKeyFYEAPJXCCUUSPQ-UHFFFAOYSA-N
XLogP2.08
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine (CID 74248066) is 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine is CCCCn1nc(C2CCOC2)nc1-c1cnc(NC)nc1.
What is the InChIKey of 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is FYEAPJXCCUUSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-4-6-21-14(12-8-17-15(16-2)18-9-12)19-13(20-21)11-5-7-22-10-11/h8-9,11H,3-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine?
5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 302.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-butyl-5-(oxolan-3-yl)-1,2,4-triazol-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 74248066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).