4-(2,3-dimethylphenyl)pyrimidine;ethane

C16H24N2 — CID 144625343

IUPAC4-(2,3-dimethylphenyl)pyrimidine;ethane
SMILESCC.CC.Cc1cccc(-c2ccncn2)c1C
InChIInChI=1S/C12H12N2.2C2H6/c1-9-4-3-5-11(10(9)2)12-6-7-13-8-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyCWRBMOVUMIEMGW-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.81
Rot. Bonds1

About 4-(2,3-dimethylphenyl)pyrimidine;ethane

4-(2,3-dimethylphenyl)pyrimidine;ethane (PubChem CID 144625343) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)pyrimidine;ethane.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)pyrimidine;ethane
PubChem CID144625343
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(2,3-dimethylphenyl)pyrimidine;ethane
SMILESCC.CC.Cc1cccc(-c2ccncn2)c1C
InChIInChI=1S/C12H12N2.2C2H6/c1-9-4-3-5-11(10(9)2)12-6-7-13-8-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3
InChIKeyCWRBMOVUMIEMGW-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-methylphenyl)phenyl]pyrimidine
CID 146397292
2-(2,3-dimethylphenyl)-5-ethynylpyridine
CID 175646937
4-(2,3-dimethylphenyl)-6-phenylpyrimidine
CID 140733760
5-fluoro-2-(2-methyl-3-pyrimidin-4-ylphenyl)benzonitrile
CID 67457489
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
4-(2-fluoro-3-pyridinyl)pyrimidine
CID 67036363
2-chloro-3-pyrimidin-4-ylbenzenethiol
CID 166070548
2,5-dimethyl-4-pyrimidin-4-ylphenol
CID 136929191
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137012864
2-amino-3-pyrimidin-4-ylbenzenesulfonamide
CID 175302030
2-(2,3-dimethylphenyl)-6-(2-methylphenyl)pyridine
CID 123263739

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)pyrimidine;ethane?
The IUPAC name of 4-(2,3-dimethylphenyl)pyrimidine;ethane (CID 144625343) is 4-(2,3-dimethylphenyl)pyrimidine;ethane.
What is the SMILES notation for 4-(2,3-dimethylphenyl)pyrimidine;ethane?
The canonical SMILES for 4-(2,3-dimethylphenyl)pyrimidine;ethane is CC.CC.Cc1cccc(-c2ccncn2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)pyrimidine;ethane?
The InChIKey is CWRBMOVUMIEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C2H6/c1-9-4-3-5-11(10(9)2)12-6-7-13-8-14-12;2*1-2/h3-8H,1-2H3;2*1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)pyrimidine;ethane?
4-(2,3-dimethylphenyl)pyrimidine;ethane has a molecular weight of 244.38 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)pyrimidine;ethane is sourced from PubChem (CID 144625343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).