2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine

C18H18N6OS — CID 175619394

IUPAC2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cn2nc(C)nc2-c2cn3cc(SC)cnc3n2)cc1
InChIInChI=1S/C18H18N6OS/c1-12-20-17(16-11-23-10-15(26-3)8-19-18(23)21-16)24(22-12)9-13-4-6-14(25-2)7-5-13/h4-8,10-11H,9H2,1-3H3
InChIKeyZHYRBWOYVBZGHW-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.08
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine

2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine (PubChem CID 175619394) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine
PubChem CID175619394
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cn2nc(C)nc2-c2cn3cc(SC)cnc3n2)cc1
InChIInChI=1S/C18H18N6OS/c1-12-20-17(16-11-23-10-15(26-3)8-19-18(23)21-16)24(22-12)9-13-4-6-14(25-2)7-5-13/h4-8,10-11H,9H2,1-3H3
InChIKeyZHYRBWOYVBZGHW-UHFFFAOYSA-N
XLogP3.08
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(1,1-difluoro-2-methoxyethyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
CID 175619385
2-[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-7-methylsulfanylimidazo[1,2-a]pyrimidine
CID 171521967
1-[(4-methoxyphenyl)methyl]-5-(4-methoxy-1H-pyrazol-5-yl)-3-methyl-1,2,4-triazole
CID 166377375
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
3,5-dimethyl-1-[(4-propoxyphenyl)methyl]-1,2,4-triazole
CID 84592616
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 115404681
2-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 71705477
2-[1-[(4-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanenitrile
CID 157400857
2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
CID 83779274
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine (CID 175619394) is 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine is COc1ccc(Cn2nc(C)nc2-c2cn3cc(SC)cnc3n2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine?
The InChIKey is ZHYRBWOYVBZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-12-20-17(16-11-23-10-15(26-3)8-19-18(23)21-16)24(22-12)9-13-4-6-14(25-2)7-5-13/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine?
2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine has a molecular weight of 366.45 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-6-methylsulfanylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 175619394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).