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

C21H29N7O — CID 24551090

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C21H29N7O/c1-5-27(6-2)13-17-10-8-7-9-16(17)12-23-19(29)11-18-14(3)24-21-25-20(22)26-28(21)15(18)4/h7-10H,5-6,11-13H2,1-4H3,(H2,22,26)(H,23,29)
InChIKeyCSEDGDZZQBOFKO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.02
Rot. Bonds8

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

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide (PubChem CID 24551090) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
PubChem CID24551090
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C21H29N7O/c1-5-27(6-2)13-17-10-8-7-9-16(17)12-23-19(29)11-18-14(3)24-21-25-20(22)26-28(21)15(18)4/h7-10H,5-6,11-13H2,1-4H3,(H2,22,26)(H,23,29)
InChIKeyCSEDGDZZQBOFKO-UHFFFAOYSA-N
XLogP2.02
TPSA101.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 9074040
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 24516890
3-[[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]methyl]-N-methylbenzamide
CID 55587612
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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848690
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]acetamide
CID 47091745
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-benzylsulfanylethyl)acetamide
CID 17405103
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-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 24544318
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32606754
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
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556

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-(diethylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide (CID 24551090) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide is CCN(CC)Cc1ccccc1CNC(=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-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is CSEDGDZZQBOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-5-27(6-2)13-17-10-8-7-9-16(17)12-23-19(29)11-18-14(3)24-21-25-20(22)26-28(21)15(18)4/h7-10H,5-6,11-13H2,1-4H3,(H2,22,26)(H,23,29).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 2.02, 8 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-[[2-(diethylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 24551090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).