5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine

C13H19N5O2 — CID 68733137

IUPAC5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCc1c(OCCOC(C)(C)C)ncnc1-n1cncn1
InChIInChI=1S/C13H19N5O2/c1-10-11(18-9-14-7-17-18)15-8-16-12(10)19-5-6-20-13(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyBZWWIEPEHYXTRP-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.56
Rot. Bonds5

About 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine

5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine (PubChem CID 68733137) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine
PubChem CID68733137
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine
SMILESCc1c(OCCOC(C)(C)C)ncnc1-n1cncn1
InChIInChI=1S/C13H19N5O2/c1-10-11(18-9-14-7-17-18)15-8-16-12(10)19-5-6-20-13(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyBZWWIEPEHYXTRP-UHFFFAOYSA-N
XLogP1.56
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine?
The IUPAC name of 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine (CID 68733137) is 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine is Cc1c(OCCOC(C)(C)C)ncnc1-n1cncn1.
What is the InChIKey of 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine?
The InChIKey is BZWWIEPEHYXTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-10-11(18-9-14-7-17-18)15-8-16-12(10)19-5-6-20-13(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine?
5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine has a molecular weight of 277.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-6-(1,2,4-triazol-1-yl)pyrimidine is sourced from PubChem (CID 68733137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).