5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine

C33H50N2O2 — CID 18660341

IUPAC5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCC1CCC(COc2ccccc2-c2ncc(OCCCCCC3CCCC3)cn2)CC1
InChIInChI=1S/C33H50N2O2/c1-2-3-4-6-14-28-19-21-29(22-20-28)26-37-32-18-11-10-17-31(32)33-34-24-30(25-35-33)36-23-12-5-7-13-27-15-8-9-16-27/h10-11,17-18,24-25,27-29H,2-9,12-16,19-23,26H2,1H3
InChIKeyGRLGIMAMEKLELM-UHFFFAOYSA-N
MW506.78 g/mol
LogP9.43
Rot. Bonds16

About 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine

5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine (PubChem CID 18660341) has the molecular formula C33H50N2O2 and a molecular weight of 506.78 g/mol. Its IUPAC name is 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine.

Molecular Properties

Compound Name5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
PubChem CID18660341
Molecular FormulaC33H50N2O2
Molecular Weight506.78 g/mol
Exact Mass506.39
IUPAC Name5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
SMILESCCCCCCC1CCC(COc2ccccc2-c2ncc(OCCCCCC3CCCC3)cn2)CC1
InChIInChI=1S/C33H50N2O2/c1-2-3-4-6-14-28-19-21-29(22-20-28)26-37-32-18-11-10-17-31(32)33-34-24-30(25-35-33)36-23-12-5-7-13-27-15-8-9-16-27/h10-11,17-18,24-25,27-29H,2-9,12-16,19-23,26H2,1H3
InChIKeyGRLGIMAMEKLELM-UHFFFAOYSA-N
XLogP9.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.78
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(8-cyclopentyloctoxy)phenyl]-5-nonoxypyrimidine
CID 19083480
5-butoxy-2-[2-methyl-4-[(4-nonylcyclohexyl)methoxy]phenyl]pyrimidine
CID 19008091
1-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626
2-[4-(cyclohexylmethoxy)phenyl]-5-octoxypyrimidine
CID 70305796
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
5-(7-cyclopentylheptoxy)-2-[4-(7-cyclopentylheptoxy)phenyl]pyrimidine
CID 19083536
5-(9-cyclopentylnonoxy)-2-[4-[(2R)-2-fluorooctoxy]phenyl]pyrimidine
CID 70181076
1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine?
The IUPAC name of 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine (CID 18660341) is 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine.
What is the SMILES notation for 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine?
The canonical SMILES for 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine is CCCCCCC1CCC(COc2ccccc2-c2ncc(OCCCCCC3CCCC3)cn2)CC1.
What is the InChIKey of 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine?
The InChIKey is GRLGIMAMEKLELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50N2O2/c1-2-3-4-6-14-28-19-21-29(22-20-28)26-37-32-18-11-10-17-31(32)33-34-24-30(25-35-33)36-23-12-5-7-13-27-15-8-9-16-27/h10-11,17-18,24-25,27-29H,2-9,12-16,19-23,26H2,1H3.
What are the key properties of 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine?
5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine has a molecular weight of 506.78 g/mol, XLogP of 9.43, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine is sourced from PubChem (CID 18660341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).