4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine

C20H17N5 — CID 46900690

IUPAC4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
SMILESCc1cccc(-c2cn(-c3nc(C)cc(-c4ccccc4)n3)nn2)c1
InChIInChI=1S/C20H17N5/c1-14-7-6-10-17(11-14)19-13-25(24-23-19)20-21-15(2)12-18(22-20)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyOHAQAWKDCXUODS-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.01
Rot. Bonds3

About 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine

4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine (PubChem CID 46900690) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
PubChem CID46900690
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
SMILESCc1cccc(-c2cn(-c3nc(C)cc(-c4ccccc4)n3)nn2)c1
InChIInChI=1S/C20H17N5/c1-14-7-6-10-17(11-14)19-13-25(24-23-19)20-21-15(2)12-18(22-20)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyOHAQAWKDCXUODS-UHFFFAOYSA-N
XLogP4.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
CID 71613057
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
4-(3-methoxyphenyl)-1-(3-methylphenyl)triazole
CID 20977584
3-[1-(3-methylphenyl)triazol-4-yl]benzonitrile
CID 122190595
2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
CID 71552175
ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
3-[1-[3-(4-methyl-2-pyridinyl)phenyl]triazol-4-yl]-N,N-diphenylaniline
CID 158539257
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine?
The IUPAC name of 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine (CID 46900690) is 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine.
What is the SMILES notation for 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine?
The canonical SMILES for 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine is Cc1cccc(-c2cn(-c3nc(C)cc(-c4ccccc4)n3)nn2)c1.
What is the InChIKey of 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine?
The InChIKey is OHAQAWKDCXUODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-14-7-6-10-17(11-14)19-13-25(24-23-19)20-21-15(2)12-18(22-20)16-8-4-3-5-9-16/h3-13H,1-2H3.
What are the key properties of 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine?
4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine has a molecular weight of 327.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine is sourced from PubChem (CID 46900690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).