6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine

C16H18N6 — CID 133472311

IUPAC6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2cn(-c3ccccc3)nn2)nc(C)n1
InChIInChI=1S/C16H18N6/c1-3-13-9-16(19-12(2)18-13)17-10-14-11-22(21-20-14)15-7-5-4-6-8-15/h4-9,11H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyFQIUEBQITQSDDB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.54
Rot. Bonds5

About 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine

6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 133472311) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID133472311
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2cn(-c3ccccc3)nn2)nc(C)n1
InChIInChI=1S/C16H18N6/c1-3-13-9-16(19-12(2)18-13)17-10-14-11-22(21-20-14)15-7-5-4-6-8-15/h4-9,11H,3,10H2,1-2H3,(H,17,18,19)
InChIKeyFQIUEBQITQSDDB-UHFFFAOYSA-N
XLogP2.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine (CID 133472311) is 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2cn(-c3ccccc3)nn2)nc(C)n1.
What is the InChIKey of 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is FQIUEBQITQSDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-3-13-9-16(19-12(2)18-13)17-10-14-11-22(21-20-14)15-7-5-4-6-8-15/h4-9,11H,3,10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[(1-phenyltriazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133472311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).