2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide

C19H23N7O2 — CID 71705341

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(CCc2nc(NC(=O)CNc3nc(C)cc(C)n3)n[nH]2)cc1
InChIInChI=1S/C19H23N7O2/c1-12-10-13(2)22-18(21-12)20-11-17(27)24-19-23-16(25-26-19)9-6-14-4-7-15(28-3)8-5-14/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,20,21,22)(H2,23,24,25,26,27)
InChIKeyJMYZTTKKXKGKSG-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.06
Rot. Bonds8

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 71705341) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID71705341
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(CCc2nc(NC(=O)CNc3nc(C)cc(C)n3)n[nH]2)cc1
InChIInChI=1S/C19H23N7O2/c1-12-10-13(2)22-18(21-12)20-11-17(27)24-19-23-16(25-26-19)9-6-14-4-7-15(28-3)8-5-14/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,20,21,22)(H2,23,24,25,26,27)
InChIKeyJMYZTTKKXKGKSG-UHFFFAOYSA-N
XLogP2.06
TPSA117.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]oxane-4-carboxamide
CID 71700922
N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 71705159
2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 125434106
2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553225
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
2-(2-chloro-6-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71702594
3-ethyl-5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazole
CID 61277923
N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686342
N-(4-iodo-2,6-dimethylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3611645
2-(1H-indol-3-yl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71709801
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-methoxyphenyl)methyl]butanamide
CID 108787746
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide (CID 71705341) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide is COc1ccc(CCc2nc(NC(=O)CNc3nc(C)cc(C)n3)n[nH]2)cc1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is JMYZTTKKXKGKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-12-10-13(2)22-18(21-12)20-11-17(27)24-19-23-16(25-26-19)9-6-14-4-7-15(28-3)8-5-14/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,20,21,22)(H2,23,24,25,26,27).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 71705341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).