5-butyl-2,6-dipentylpyrimidin-4-amine

C18H33N3 — CID 86054100

IUPAC5-butyl-2,6-dipentylpyrimidin-4-amine
SMILESCCCCCc1nc(N)c(CCCC)c(CCCCC)n1
InChIInChI=1S/C18H33N3/c1-4-7-10-13-16-15(12-9-6-3)18(19)21-17(20-16)14-11-8-5-2/h4-14H2,1-3H3,(H2,19,20,21)
InChIKeyGKQGTISEXCNFOP-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.87
Rot. Bonds11

About 5-butyl-2,6-dipentylpyrimidin-4-amine

5-butyl-2,6-dipentylpyrimidin-4-amine (PubChem CID 86054100) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-butyl-2,6-dipentylpyrimidin-4-amine.

Molecular Properties

Compound Name5-butyl-2,6-dipentylpyrimidin-4-amine
PubChem CID86054100
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name5-butyl-2,6-dipentylpyrimidin-4-amine
SMILESCCCCCc1nc(N)c(CCCC)c(CCCCC)n1
InChIInChI=1S/C18H33N3/c1-4-7-10-13-16-15(12-9-6-3)18(19)21-17(20-16)14-11-8-5-2/h4-14H2,1-3H3,(H2,19,20,21)
InChIKeyGKQGTISEXCNFOP-UHFFFAOYSA-N
XLogP4.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butyl-2,6-dipentylpyrimidin-4-amine 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-2,6-dipentylpyrimidin-4-amine?
The IUPAC name of 5-butyl-2,6-dipentylpyrimidin-4-amine (CID 86054100) is 5-butyl-2,6-dipentylpyrimidin-4-amine.
What is the SMILES notation for 5-butyl-2,6-dipentylpyrimidin-4-amine?
The canonical SMILES for 5-butyl-2,6-dipentylpyrimidin-4-amine is CCCCCc1nc(N)c(CCCC)c(CCCCC)n1.
What is the InChIKey of 5-butyl-2,6-dipentylpyrimidin-4-amine?
The InChIKey is GKQGTISEXCNFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-7-10-13-16-15(12-9-6-3)18(19)21-17(20-16)14-11-8-5-2/h4-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 5-butyl-2,6-dipentylpyrimidin-4-amine?
5-butyl-2,6-dipentylpyrimidin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,6-dipentylpyrimidin-4-amine is sourced from PubChem (CID 86054100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).