5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine

C23H32N2O — CID 54184232

IUPAC5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine
SMILESCCCCC1CCC(CCc2cnc(-c3ccc(OC)cc3)nc2)CC1
InChIInChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-16-24-23(25-17-20)21-12-14-22(26-2)15-13-21/h12-19H,3-11H2,1-2H3
InChIKeyPDYZSPSHFFSRNY-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.08
Rot. Bonds8

About 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine

5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine (PubChem CID 54184232) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine
PubChem CID54184232
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine
SMILESCCCCC1CCC(CCc2cnc(-c3ccc(OC)cc3)nc2)CC1
InChIInChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-16-24-23(25-17-20)21-12-14-22(26-2)15-13-21/h12-19H,3-11H2,1-2H3
InChIKeyPDYZSPSHFFSRNY-UHFFFAOYSA-N
XLogP6.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-heptylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine;5-[2-(4-nonylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine
CID 157335064
5-butoxy-2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839954
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-heptylcyclohexyl)ethyl]pyrimidine
CID 19436252
5-pentyl-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 19739185
2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839720
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 19739016
2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]-5-propylpyrimidine
CID 19738942
5-butyl-2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]pyrimidine
CID 19739108
5-pentyl-2-[4-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]phenyl]pyrimidine
CID 19739120

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine (CID 54184232) is 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine is CCCCC1CCC(CCc2cnc(-c3ccc(OC)cc3)nc2)CC1.
What is the InChIKey of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine?
The InChIKey is PDYZSPSHFFSRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-16-24-23(25-17-20)21-12-14-22(26-2)15-13-21/h12-19H,3-11H2,1-2H3.
What are the key properties of 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine?
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine has a molecular weight of 352.52 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 54184232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).