3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine

C16H14N4 — CID 118345270

IUPAC3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
SMILESCc1ccc(-c2ccc(-c3ncc(C)cn3)nn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)14-7-8-15(20-19-14)16-17-9-12(2)10-18-16/h3-10H,1-2H3
InChIKeyVTCRKTBUYNFSGU-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.22
Rot. Bonds2

About 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine

3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine (PubChem CID 118345270) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
PubChem CID118345270
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
SMILESCc1ccc(-c2ccc(-c3ncc(C)cn3)nn2)cc1
InChIInChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)14-7-8-15(20-19-14)16-17-9-12(2)10-18-16/h3-10H,1-2H3
InChIKeyVTCRKTBUYNFSGU-UHFFFAOYSA-N
XLogP3.22
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
3-methyl-6-(4-methylphenyl)pyridazine;3-methyl-6-(5-methyl-2-pyridinyl)pyridazine
CID 144588517
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
3-methyl-6-(4-methylphenyl)-1,2,4-triazine
CID 134558239
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
CID 118348376
5-methyl-2-(4-methylphenyl)pyridine;5-methyl-2-pyridin-4-ylpyridine
CID 159579778
[6-(4-methylphenyl)pyridazin-3-yl]methanamine
CID 82282214
2,4,6-tris[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-1,3,5-triazine
CID 58261715
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 14241961

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine?
The IUPAC name of 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine (CID 118345270) is 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine?
The canonical SMILES for 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine is Cc1ccc(-c2ccc(-c3ncc(C)cn3)nn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine?
The InChIKey is VTCRKTBUYNFSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-3-5-13(6-4-11)14-7-8-15(20-19-14)16-17-9-12(2)10-18-16/h3-10H,1-2H3.
What are the key properties of 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine?
3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine has a molecular weight of 262.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine is sourced from PubChem (CID 118345270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).