2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide

C17H18F2N6O — CID 55549100

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N6O/c1-9-13(10(2)25-17(21-9)22-16(20)23-25)7-15(26)24(3)8-11-4-5-12(18)6-14(11)19/h4-6H,7-8H2,1-3H3,(H2,20,23)
InChIKeyRCMBIYBJFQAMHG-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.80
Rot. Bonds4

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide (PubChem CID 55549100) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
PubChem CID55549100
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C17H18F2N6O/c1-9-13(10(2)25-17(21-9)22-16(20)23-25)7-15(26)24(3)8-11-4-5-12(18)6-14(11)19/h4-6H,7-8H2,1-3H3,(H2,20,23)
InChIKeyRCMBIYBJFQAMHG-UHFFFAOYSA-N
XLogP1.80
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide (CID 55549100) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
The InChIKey is RCMBIYBJFQAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O/c1-9-13(10(2)25-17(21-9)22-16(20)23-25)7-15(26)24(3)8-11-4-5-12(18)6-14(11)19/h4-6H,7-8H2,1-3H3,(H2,20,23).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide has a molecular weight of 360.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55549100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).