2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine

C20H26N2 — CID 134353176

IUPAC2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2cnc(-c3ccc(C)cc3)nc2)CC1
InChIInChI=1S/C20H26N2/c1-3-4-16-7-11-17(12-8-16)19-13-21-20(22-14-19)18-9-5-15(2)6-10-18/h5-6,9-10,13-14,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyMGJABWDGOQSBPT-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.53
Rot. Bonds4

About 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine

2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine (PubChem CID 134353176) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
PubChem CID134353176
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2cnc(-c3ccc(C)cc3)nc2)CC1
InChIInChI=1S/C20H26N2/c1-3-4-16-7-11-17(12-8-16)19-13-21-20(22-14-19)18-9-5-15(2)6-10-18/h5-6,9-10,13-14,16-17H,3-4,7-8,11-12H2,1-2H3
InChIKeyMGJABWDGOQSBPT-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
2-[4-fluoro-3-[2-fluoro-5-[5-(4-propylcyclohexyl)pyrimidin-2-yl]phenyl]phenyl]-5-(4-propylcyclohexyl)pyrimidine
CID 163887093
5-(4-methylcyclohexyl)-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 59982558
5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine
CID 58862882
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
5-(4-butylcyclohexyl)-2-(4-nonoxyphenyl)pyrimidine
CID 19839865
2-(4-heptoxyphenyl)-5-(4-heptylcyclohexyl)pyrimidine;2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine
CID 160954662
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine
CID 19839692
2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
CID 19839599
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
1-methyl-2-pentylbenzene;5-(4-pentylcyclohexyl)-2-phenylpyrimidine
CID 19008187

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine (CID 134353176) is 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine is CCCC1CCC(c2cnc(-c3ccc(C)cc3)nc2)CC1.
What is the InChIKey of 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine?
The InChIKey is MGJABWDGOQSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-3-4-16-7-11-17(12-8-16)19-13-21-20(22-14-19)18-9-5-15(2)6-10-18/h5-6,9-10,13-14,16-17H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine?
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine has a molecular weight of 294.44 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine is sourced from PubChem (CID 134353176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).