5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine

C24H46N2 — CID 142120543

IUPAC5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine
SMILESCCCCCC(C)C(CCC1=NC=C(CCCC)CN1C)CCC(C)C
InChIInChI=1S/C24H46N2/c1-7-9-11-12-21(5)23(15-14-20(3)4)16-17-24-25-18-22(13-10-8-2)19-26(24)6/h18,20-21,23H,7-17,19H2,1-6H3
InChIKeyOZQGSYPOOBAKJL-UHFFFAOYSA-N
MW362.65 g/mol
LogP7.45
Rot. Bonds14

About 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine

5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine (PubChem CID 142120543) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine.

Molecular Properties

Compound Name5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine
PubChem CID142120543
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine
SMILESCCCCCC(C)C(CCC1=NC=C(CCCC)CN1C)CCC(C)C
InChIInChI=1S/C24H46N2/c1-7-9-11-12-21(5)23(15-14-20(3)4)16-17-24-25-18-22(13-10-8-2)19-26(24)6/h18,20-21,23H,7-17,19H2,1-6H3
InChIKeyOZQGSYPOOBAKJL-UHFFFAOYSA-N
XLogP7.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine?
The IUPAC name of 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine (CID 142120543) is 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine.
What is the SMILES notation for 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine?
The canonical SMILES for 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine is CCCCCC(C)C(CCC1=NC=C(CCCC)CN1C)CCC(C)C.
What is the InChIKey of 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine?
The InChIKey is OZQGSYPOOBAKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-7-9-11-12-21(5)23(15-14-20(3)4)16-17-24-25-18-22(13-10-8-2)19-26(24)6/h18,20-21,23H,7-17,19H2,1-6H3.
What are the key properties of 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine?
5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine has a molecular weight of 362.65 g/mol, XLogP of 7.45, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-methyl-2-[4-methyl-3-(3-methylbutyl)nonyl]-4H-pyrimidine is sourced from PubChem (CID 142120543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).