5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine

C25H36N2 — CID 19008051

IUPAC5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
SMILESCCCc1ncc(-c2ccc(CCC3CCC(CCC)CC3)cc2C)cn1
InChIInChI=1S/C25H36N2/c1-4-6-20-8-10-21(11-9-20)12-13-22-14-15-24(19(3)16-22)23-17-26-25(7-5-2)27-18-23/h14-18,20-21H,4-13H2,1-3H3
InChIKeyUVXFDUQWZIJSJX-UHFFFAOYSA-N
MW364.58 g/mol
LogP6.94
Rot. Bonds8

About 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine

5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine (PubChem CID 19008051) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine.

Molecular Properties

Compound Name5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
PubChem CID19008051
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine
SMILESCCCc1ncc(-c2ccc(CCC3CCC(CCC)CC3)cc2C)cn1
InChIInChI=1S/C25H36N2/c1-4-6-20-8-10-21(11-9-20)12-13-22-14-15-24(19(3)16-22)23-17-26-25(7-5-2)27-18-23/h14-18,20-21H,4-13H2,1-3H3
InChIKeyUVXFDUQWZIJSJX-UHFFFAOYSA-N
XLogP6.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-4-[2-(4-nonylcyclohexyl)ethyl]benzene
CID 18649509
2-(2-methyl-4-pentylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyrimidine
CID 54549781
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
5-(2-fluoro-4-propylphenyl)-2-propylpyrimidine
CID 19008485
5-propyl-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]pyrimidine
CID 19839891
5-butyl-2-[2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 70403730
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
5-(4-heptoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839624
5-(4-nonoxyphenyl)-2-[2-(4-propylcyclohexyl)ethyl]pyrimidine
CID 19839963
2-methyl-1,4-bis[2-(4-nonylcyclohexyl)ethyl]benzene
CID 19008279
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine?
The IUPAC name of 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine (CID 19008051) is 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine.
What is the SMILES notation for 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine?
The canonical SMILES for 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine is CCCc1ncc(-c2ccc(CCC3CCC(CCC)CC3)cc2C)cn1.
What is the InChIKey of 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine?
The InChIKey is UVXFDUQWZIJSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-4-6-20-8-10-21(11-9-20)12-13-22-14-15-24(19(3)16-22)23-17-26-25(7-5-2)27-18-23/h14-18,20-21H,4-13H2,1-3H3.
What are the key properties of 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine?
5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine has a molecular weight of 364.58 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-2-propylpyrimidine is sourced from PubChem (CID 19008051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).