2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine

C29H44N2O — CID 14474593

IUPAC2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCCCCCC3CC3)cc2)nc1
InChIInChI=1S/C29H44N2O/c1-2-3-4-5-6-7-8-12-15-26-23-30-29(31-24-26)27-18-20-28(21-19-27)32-22-13-10-9-11-14-25-16-17-25/h18-21,23-25H,2-17,22H2,1H3
InChIKeyHAJPQUDKTZQKPG-UHFFFAOYSA-N
MW436.68 g/mol
LogP8.57
Rot. Bonds18

About 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine

2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine (PubChem CID 14474593) has the molecular formula C29H44N2O and a molecular weight of 436.68 g/mol. Its IUPAC name is 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine.

Molecular Properties

Compound Name2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine
PubChem CID14474593
Molecular FormulaC29H44N2O
Molecular Weight436.68 g/mol
Exact Mass436.35
IUPAC Name2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCCCCCC3CC3)cc2)nc1
InChIInChI=1S/C29H44N2O/c1-2-3-4-5-6-7-8-12-15-26-23-30-29(31-24-26)27-18-20-28(21-19-27)32-22-13-10-9-11-14-25-16-17-25/h18-21,23-25H,2-17,22H2,1H3
InChIKeyHAJPQUDKTZQKPG-UHFFFAOYSA-N
XLogP8.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 19739016
2-[4-[3-(4-hexylcyclohexyl)propoxy]phenyl]-5-pentylpyrimidine
CID 19738955
5-pentyl-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 19739185
5-[2-(4-heptylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine;5-[2-(4-nonylcyclohexyl)ethyl]-2-(4-octoxyphenyl)pyrimidine
CID 157335064
5-pentyl-2-[4-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]phenyl]pyrimidine
CID 19739120
5-butyl-2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]pyrimidine
CID 19739108
2-[4-[3-(4-decylcyclohexyl)propoxy]phenyl]-5-propylpyrimidine
CID 19738942
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-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
5-[(4S)-4-methylhexyl]-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 54137469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine?
The IUPAC name of 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine (CID 14474593) is 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine.
What is the SMILES notation for 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine?
The canonical SMILES for 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine is CCCCCCCCCCc1cnc(-c2ccc(OCCCCCCC3CC3)cc2)nc1.
What is the InChIKey of 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine?
The InChIKey is HAJPQUDKTZQKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2O/c1-2-3-4-5-6-7-8-12-15-26-23-30-29(31-24-26)27-18-20-28(21-19-27)32-22-13-10-9-11-14-25-16-17-25/h18-21,23-25H,2-17,22H2,1H3.
What are the key properties of 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine?
2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine has a molecular weight of 436.68 g/mol, XLogP of 8.57, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyclopropylhexoxy)phenyl]-5-decylpyrimidine is sourced from PubChem (CID 14474593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).