2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine

C15H14ClN5O — CID 30032668

IUPAC2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccccc1-c1nc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-8-10(2)18-15(17-9)21-14(16)19-13(20-21)11-6-4-5-7-12(11)22-3/h4-8H,1-3H3
InChIKeyORNXPMQGYMTQBX-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.00
Rot. Bonds3

About 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine

2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine (PubChem CID 30032668) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
PubChem CID30032668
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
SMILESCOc1ccccc1-c1nc(Cl)n(-c2nc(C)cc(C)n2)n1
InChIInChI=1S/C15H14ClN5O/c1-9-8-10(2)18-15(17-9)21-14(16)19-13(20-21)11-6-4-5-7-12(11)22-3/h4-8H,1-3H3
InChIKeyORNXPMQGYMTQBX-UHFFFAOYSA-N
XLogP3.00
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-chloro-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine
CID 30032648
2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
CID 30032947
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844
2-(2-methoxyphenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
CID 18830214
2-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 16751701
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
2-(5-chloro-3-ethyl-1,2,4-triazol-1-yl)-4,6-dimethylpyrimidine
CID 30032625
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 30032770
4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898229
N-(2-bromo-4,6-dimethoxyphenyl)-N-ethyl-4-(2-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 18691311
4-chloro-2-(2-methoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557608
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine (CID 30032668) is 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine is COc1ccccc1-c1nc(Cl)n(-c2nc(C)cc(C)n2)n1.
What is the InChIKey of 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is ORNXPMQGYMTQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-9-8-10(2)18-15(17-9)21-14(16)19-13(20-21)11-6-4-5-7-12(11)22-3/h4-8H,1-3H3.
What are the key properties of 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine?
2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 315.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 30032668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).