2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C18H22N6O2 — CID 51644301

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C18H22N6O2/c1-10(13-7-5-6-8-15(13)26-4)20-16(25)9-14-11(2)21-18-22-17(19)23-24(18)12(14)3/h5-8,10H,9H2,1-4H3,(H2,19,23)(H,20,25)/t10-/m0/s1
InChIKeyMIKCUZKCOZTMOM-JTQLQIEISA-N
MW354.41 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 51644301) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID51644301
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C18H22N6O2/c1-10(13-7-5-6-8-15(13)26-4)20-16(25)9-14-11(2)21-18-22-17(19)23-24(18)12(14)3/h5-8,10H,9H2,1-4H3,(H2,19,23)(H,20,25)/t10-/m0/s1
InChIKeyMIKCUZKCOZTMOM-JTQLQIEISA-N
XLogP1.75
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 17483850
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24544012
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 55458064
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 17414679
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 24551138
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 30237729
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 26003980
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 24551090
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-(2-amino-1,3-thiazol-4-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 62799997

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-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 51644301) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)Cc1c(C)nc2nc(N)nn2c1C.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is MIKCUZKCOZTMOM-JTQLQIEISA-N. The full InChI is InChI=1S/C18H22N6O2/c1-10(13-7-5-6-8-15(13)26-4)20-16(25)9-14-11(2)21-18-22-17(19)23-24(18)12(14)3/h5-8,10H,9H2,1-4H3,(H2,19,23)(H,20,25)/t10-/m0/s1.
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 51644301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).