5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

C14H14N6O — CID 114691054

IUPAC5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cnnn2-c2ccccc2)c1OC
InChIInChI=1S/C14H14N6O/c1-15-14-13(21-2)12(16-9-17-14)11-8-18-19-20(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyWXLWBPDXOXDBHP-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.77
Rot. Bonds4

About 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 114691054) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
PubChem CID114691054
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cnnn2-c2ccccc2)c1OC
InChIInChI=1S/C14H14N6O/c1-15-14-13(21-2)12(16-9-17-14)11-8-18-19-20(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,17)
InChIKeyWXLWBPDXOXDBHP-UHFFFAOYSA-N
XLogP1.77
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (CID 114691054) is 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is CNc1ncnc(-c2cnnn2-c2ccccc2)c1OC.
What is the InChIKey of 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is WXLWBPDXOXDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-15-14-13(21-2)12(16-9-17-14)11-8-18-19-20(11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,17).
What are the key properties of 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 282.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114691054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).