2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine

C25H36N2O — CID 19839720

IUPAC2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
SMILESCCCCC1CCC(CCc2ccc(-c3ncc(OCCC)cn3)cc2)CC1
InChIInChI=1S/C25H36N2O/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-26-18-24(19-27-25)28-17-4-2/h13-16,18-21H,3-12,17H2,1-2H3
InChIKeyGCKXETMILDVBBR-UHFFFAOYSA-N
MW380.58 g/mol
LogP6.86
Rot. Bonds10

About 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine

2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine (PubChem CID 19839720) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
PubChem CID19839720
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
SMILESCCCCC1CCC(CCc2ccc(-c3ncc(OCCC)cn3)cc2)CC1
InChIInChI=1S/C25H36N2O/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-26-18-24(19-27-25)28-17-4-2/h13-16,18-21H,3-12,17H2,1-2H3
InChIKeyGCKXETMILDVBBR-UHFFFAOYSA-N
XLogP6.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine
CID 19839593
5-butoxy-2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839954
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839760
5-ethoxy-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839968
5-[2-(4-heptylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine;5-[2-(4-nonylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine
CID 157335064
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-methoxyphenyl)pyrimidine
CID 54184232
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
5-pentyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine?
The IUPAC name of 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine (CID 19839720) is 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine.
What is the SMILES notation for 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine?
The canonical SMILES for 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine is CCCCC1CCC(CCc2ccc(-c3ncc(OCCC)cn3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine?
The InChIKey is GCKXETMILDVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-26-18-24(19-27-25)28-17-4-2/h13-16,18-21H,3-12,17H2,1-2H3.
What are the key properties of 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine?
2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine has a molecular weight of 380.58 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-5-propoxypyrimidine is sourced from PubChem (CID 19839720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).