5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine

C21H28N2O — CID 19839692

IUPAC5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1
InChIInChI=1S/C21H28N2O/c1-3-13-24-20-11-9-18(10-12-20)21-22-14-19(15-23-21)17-7-5-16(4-2)6-8-17/h9-12,14-17H,3-8,13H2,1-2H3
InChIKeyWOXZUGAGYHNLKA-UHFFFAOYSA-N
MW324.47 g/mol
LogP5.62
Rot. Bonds6

About 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine

5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine (PubChem CID 19839692) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine
PubChem CID19839692
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1
InChIInChI=1S/C21H28N2O/c1-3-13-24-20-11-9-18(10-12-20)21-22-14-19(15-23-21)17-7-5-16(4-2)6-8-17/h9-12,14-17H,3-8,13H2,1-2H3
InChIKeyWOXZUGAGYHNLKA-UHFFFAOYSA-N
XLogP5.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-5-(4-ethylcyclohexyl)pyrimidine
CID 19839599
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
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176
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-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
2-[4-[(4-ethylcyclohexyl)methoxy]phenyl]-5-nonylpyrimidine
CID 19839923
2-[2-(4-ethylcyclohexyl)ethyl]-6-(4-propoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837637
5-pentyl-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 19739185

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine (CID 19839692) is 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2ncc(C3CCC(CC)CC3)cn2)cc1.
What is the InChIKey of 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine?
The InChIKey is WOXZUGAGYHNLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-13-24-20-11-9-18(10-12-20)21-22-14-19(15-23-21)17-7-5-16(4-2)6-8-17/h9-12,14-17H,3-8,13H2,1-2H3.
What are the key properties of 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine?
5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine has a molecular weight of 324.47 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexyl)-2-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 19839692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).