N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C19H24N6O — CID 121320247

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc(C)n1
InChIInChI=1S/C19H24N6O/c1-12-8-15(9-13(2)21-12)11-20-18-23-19-22-14(3)10-17(25(19)24-18)16-4-6-26-7-5-16/h8-10,16H,4-7,11H2,1-3H3,(H,20,24)
InChIKeyYMRMIFKTCBUTLA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.95
Rot. Bonds4

About N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320247) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320247
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc(C)n1
InChIInChI=1S/C19H24N6O/c1-12-8-15(9-13(2)21-12)11-20-18-23-19-22-14(3)10-17(25(19)24-18)16-4-6-26-7-5-16/h8-10,16H,4-7,11H2,1-3H3,(H,20,24)
InChIKeyYMRMIFKTCBUTLA-UHFFFAOYSA-N
XLogP2.95
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320247) is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YMRMIFKTCBUTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-8-15(9-13(2)21-12)11-20-18-23-19-22-14(3)10-17(25(19)24-18)16-4-6-26-7-5-16/h8-10,16H,4-7,11H2,1-3H3,(H,20,24).
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).