3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine

C16H14N4 — CID 118345276

IUPAC3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
SMILESCc1cnc(-c2ccc(-c3ccc(C)nn3)cc2)nc1
InChIInChI=1S/C16H14N4/c1-11-9-17-16(18-10-11)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-10H,1-2H3
InChIKeyXZIVXDVWJCGFEA-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.22
Rot. Bonds2

About 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine

3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine (PubChem CID 118345276) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
PubChem CID118345276
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC Name3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
SMILESCc1cnc(-c2ccc(-c3ccc(C)nn3)cc2)nc1
InChIInChI=1S/C16H14N4/c1-11-9-17-16(18-10-11)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-10H,1-2H3
InChIKeyXZIVXDVWJCGFEA-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-(4-methylphenyl)-6-(5-methylpyrimidin-2-yl)pyridazine
CID 118345270
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-[6-(6-methyl-3-pyridinyl)-3-pyridinyl]pyridazine
CID 118345277
3-methyl-6-(4-pyrimidin-5-ylphenyl)pyridazine
CID 118348407
4-(6-methylpyridazin-3-yl)benzoic acid
CID 53426337
6-methyl-3-(4-methylphenyl)-1,2,4-triazine
CID 14241961
4-(5-methylpyrimidin-2-yl)phenol
CID 135581358
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
N,N-dimethyl-1-[4-(6-methylpyridazin-3-yl)phenyl]ethanamine
CID 119062682
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine?
The IUPAC name of 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine (CID 118345276) is 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine?
The canonical SMILES for 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine is Cc1cnc(-c2ccc(-c3ccc(C)nn3)cc2)nc1.
What is the InChIKey of 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine?
The InChIKey is XZIVXDVWJCGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-11-9-17-16(18-10-11)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-10H,1-2H3.
What are the key properties of 3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine?
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]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-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine is sourced from PubChem (CID 118345276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).