5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane

C20H23N3 — CID 158879641

IUPAC5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane
SMILESCC.Cc1ccc(-c2cnc(-c3ccccn3)nc2C)cc1C
InChIInChI=1S/C18H17N3.C2H6/c1-12-7-8-15(10-13(12)2)16-11-20-18(21-14(16)3)17-6-4-5-9-19-17;1-2/h4-11H,1-3H3;1-2H3
InChIKeyJCWJEFVFSDPXPV-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.16
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane

5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane (PubChem CID 158879641) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane
PubChem CID158879641
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane
SMILESCC.Cc1ccc(-c2cnc(-c3ccccn3)nc2C)cc1C
InChIInChI=1S/C18H17N3.C2H6/c1-12-7-8-15(10-13(12)2)16-11-20-18(21-14(16)3)17-6-4-5-9-19-17;1-2/h4-11H,1-3H3;1-2H3
InChIKeyJCWJEFVFSDPXPV-UHFFFAOYSA-N
XLogP5.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
2-methyl-5-(2-pyridin-2-ylphenyl)aniline
CID 135030637
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
5,8-dimethyl-2,3-dipyridin-2-ylquinoxaline
CID 21026689
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
5-methyl-2-pyridin-2-yl-4-(trifluoromethyl)pyrimidine
CID 130244154
5-methoxy-4-methyl-6-phenyl-2-pyridin-2-ylpyrimidine
CID 46243168
2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 59273776
4-(3,4-dimethylphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62901484
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane (CID 158879641) is 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane is CC.Cc1ccc(-c2cnc(-c3ccccn3)nc2C)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane?
The InChIKey is JCWJEFVFSDPXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C2H6/c1-12-7-8-15(10-13(12)2)16-11-20-18(21-14(16)3)17-6-4-5-9-19-17;1-2/h4-11H,1-3H3;1-2H3.
What are the key properties of 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane?
5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane has a molecular weight of 305.43 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-methyl-2-pyridin-2-ylpyrimidine;ethane is sourced from PubChem (CID 158879641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).