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

C18H22N6O — CID 121320121

IUPAC5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)ccn1
InChIInChI=1S/C18H22N6O/c1-12-9-14(3-6-19-12)11-20-17-22-18-21-13(2)10-16(24(18)23-17)15-4-7-25-8-5-15/h3,6,9-10,15H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeyIRVKYVHMWHKBOC-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.64
Rot. Bonds4

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

5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 121320121) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID121320121
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)ccn1
InChIInChI=1S/C18H22N6O/c1-12-9-14(3-6-19-12)11-20-17-22-18-21-13(2)10-16(24(18)23-17)15-4-7-25-8-5-15/h3,6,9-10,15H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeyIRVKYVHMWHKBOC-UHFFFAOYSA-N
XLogP2.64
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 121320121) is 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cc(CNc2nc3nc(C)cc(C4CCOCC4)n3n2)ccn1.
What is the InChIKey of 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is IRVKYVHMWHKBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-9-14(3-6-19-12)11-20-17-22-18-21-13(2)10-16(24(18)23-17)15-4-7-25-8-5-15/h3,6,9-10,15H,4-5,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 338.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-4-pyridinyl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 121320121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).