2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

C15H16N6 — CID 114691056

IUPAC2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-3-14-18-12(9-15(16-2)19-14)13-10-17-20-21(13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,18,19)
InChIKeyFTVQIBZCMTUBCA-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.33
Rot. Bonds4

About 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine

2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (PubChem CID 114691056) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
PubChem CID114691056
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cnnn2-c2ccccc2)n1
InChIInChI=1S/C15H16N6/c1-3-14-18-12(9-15(16-2)19-14)13-10-17-20-21(13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,18,19)
InChIKeyFTVQIBZCMTUBCA-UHFFFAOYSA-N
XLogP2.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine (CID 114691056) is 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is CCc1nc(NC)cc(-c2cnnn2-c2ccccc2)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
The InChIKey is FTVQIBZCMTUBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-14-18-12(9-15(16-2)19-14)13-10-17-20-21(13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,16,18,19).
What are the key properties of 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine has a molecular weight of 280.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 114691056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).