2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine

C14H12N4 — CID 145083150

IUPAC2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
SMILESCc1nc(C2=CCN=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3
InChIKeySTXRKYGYOJWVLP-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.31
Rot. Bonds2

About 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine

2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine (PubChem CID 145083150) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
PubChem CID145083150
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
SMILESCc1nc(C2=CCN=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3
InChIKeySTXRKYGYOJWVLP-UHFFFAOYSA-N
XLogP2.31
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633
2,4-dimethyl-6-(4-phenylphenyl)-1,3,5-triazine;ethane;molecular iodine
CID 158896217
2-methyl-4-[2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 145017131
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
2-methyl-4,6-bis(4-methylphenyl)-1,3,5-triazine;4-methyl-2,6-diphenylpyrimidine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157118867
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
2,4-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine (CID 145083150) is 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine is Cc1nc(C2=CCN=C2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
The InChIKey is STXRKYGYOJWVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-10-16-13(11-5-3-2-4-6-11)18-14(17-10)12-7-8-15-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine?
2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine has a molecular weight of 236.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine is sourced from PubChem (CID 145083150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).