4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine

C17H31N5O — CID 135271039

IUPAC4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCN1CCOCC1
InChIInChI=1S/C17H31N5O/c1-3-4-8-19-16-15(14(2)20-17(18)21-16)7-5-6-9-22-10-12-23-13-11-22/h3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyWPPDFMYGICLQOC-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.23
Rot. Bonds9

About 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine

4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 135271039) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
PubChem CID135271039
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCN1CCOCC1
InChIInChI=1S/C17H31N5O/c1-3-4-8-19-16-15(14(2)20-17(18)21-16)7-5-6-9-22-10-12-23-13-11-22/h3-13H2,1-2H3,(H3,18,19,20,21)
InChIKeyWPPDFMYGICLQOC-UHFFFAOYSA-N
XLogP2.23
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine 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 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine (CID 135271039) is 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCCN1CCOCC1.
What is the InChIKey of 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is WPPDFMYGICLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-3-4-8-19-16-15(14(2)20-17(18)21-16)7-5-6-9-22-10-12-23-13-11-22/h3-13H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine?
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 321.47 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135271039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).