2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

C18H22N6O2 — CID 50950633

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H22N6O2/c1-10-6-11(2)20-17(26-5)14(10)9-19-16(25)8-15-22-18-21-12(3)7-13(4)24(18)23-15/h6-7H,8-9H2,1-5H3,(H,19,25)
InChIKeyRHUHLAWYAHNXIL-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.62
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (PubChem CID 50950633) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
PubChem CID50950633
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)Cc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C18H22N6O2/c1-10-6-11(2)20-17(26-5)14(10)9-19-16(25)8-15-22-18-21-12(3)7-13(4)24(18)23-15/h6-7H,8-9H2,1-5H3,(H,19,25)
InChIKeyRHUHLAWYAHNXIL-UHFFFAOYSA-N
XLogP1.62
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
CID 119068950
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 97120000
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 91779133
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 78904891
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[1-(4-methoxyphenyl)cyclohexyl]acetamide
CID 16674489
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 70716419
trans-methyl (1R,2R)-2-[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]cycloheptane-1-carboxylate
CID 97053822
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 55665693

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide (CID 50950633) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is COc1nc(C)cc(C)c1CNC(=O)Cc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
The InChIKey is RHUHLAWYAHNXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10-6-11(2)20-17(26-5)14(10)9-19-16(25)8-15-22-18-21-12(3)7-13(4)24(18)23-15/h6-7H,8-9H2,1-5H3,(H,19,25).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 50950633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).