5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine

C24H34N2 — CID 58862882

IUPAC5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine
SMILESCCCCCC1CCC(c2cnc(-c3ccc(C(C)C)cc3)nc2)CC1
InChIInChI=1S/C24H34N2/c1-4-5-6-7-19-8-10-21(11-9-19)23-16-25-24(26-17-23)22-14-12-20(13-15-22)18(2)3/h12-19,21H,4-11H2,1-3H3
InChIKeyPEYDCVJNLDPJDZ-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.12
Rot. Bonds7

About 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine

5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine (PubChem CID 58862882) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine
PubChem CID58862882
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine
SMILESCCCCCC1CCC(c2cnc(-c3ccc(C(C)C)cc3)nc2)CC1
InChIInChI=1S/C24H34N2/c1-4-5-6-7-19-8-10-21(11-9-19)23-16-25-24(26-17-23)22-14-12-20(13-15-22)18(2)3/h12-19,21H,4-11H2,1-3H3
InChIKeyPEYDCVJNLDPJDZ-UHFFFAOYSA-N
XLogP7.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
5-(4-heptylcyclohexyl)-2-(4-methoxyphenyl)pyrimidine
CID 19839897
2-(4-heptoxyphenyl)-5-(4-heptylcyclohexyl)pyrimidine;2-(4-heptoxyphenyl)-5-(4-pentylcyclohexyl)pyrimidine
CID 160954662
5-(4-butylcyclohexyl)-2-(4-nonoxyphenyl)pyrimidine
CID 19839865
2-(4-fluorophenyl)-5-[4-(4-octylcyclohexyl)phenyl]pyrimidine
CID 18650826
2-(4-methylphenyl)-5-(4-propylcyclohexyl)pyrimidine
CID 134353176
1-methyl-2-pentylbenzene;5-(4-pentylcyclohexyl)-2-phenylpyrimidine
CID 19008187
2-(3-fluoro-4-pentylphenyl)-5-(4-hexylcyclohexyl)pyrimidine
CID 21270888
1-hexyl-4-[4-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]phenyl]cyclohexane-1-carbonitrile
CID 18644684
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine?
The IUPAC name of 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine (CID 58862882) is 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine.
What is the SMILES notation for 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine?
The canonical SMILES for 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine is CCCCCC1CCC(c2cnc(-c3ccc(C(C)C)cc3)nc2)CC1.
What is the InChIKey of 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine?
The InChIKey is PEYDCVJNLDPJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-4-5-6-7-19-8-10-21(11-9-19)23-16-25-24(26-17-23)22-14-12-20(13-15-22)18(2)3/h12-19,21H,4-11H2,1-3H3.
What are the key properties of 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine?
5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine has a molecular weight of 350.55 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pentylcyclohexyl)-2-(4-propan-2-ylphenyl)pyrimidine is sourced from PubChem (CID 58862882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).