6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine

C15H28N6O — CID 146129502

IUPAC6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESCCCCNc1cc(N(C)CCN2CCOCC2)nc(N)n1
InChIInChI=1S/C15H28N6O/c1-3-4-5-17-13-12-14(19-15(16)18-13)20(2)6-7-21-8-10-22-11-9-21/h12H,3-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyWRCBSJVPCTUBIX-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.04
Rot. Bonds8

About 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine

6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine (PubChem CID 146129502) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
PubChem CID146129502
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine
SMILESCCCCNc1cc(N(C)CCN2CCOCC2)nc(N)n1
InChIInChI=1S/C15H28N6O/c1-3-4-5-17-13-12-14(19-15(16)18-13)20(2)6-7-21-8-10-22-11-9-21/h12H,3-11H2,1-2H3,(H3,16,17,18,19)
InChIKeyWRCBSJVPCTUBIX-UHFFFAOYSA-N
XLogP1.04
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine 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 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine (CID 146129502) is 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine is CCCCNc1cc(N(C)CCN2CCOCC2)nc(N)n1.
What is the InChIKey of 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is WRCBSJVPCTUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-3-4-5-17-13-12-14(19-15(16)18-13)20(2)6-7-21-8-10-22-11-9-21/h12H,3-11H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine?
6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 308.43 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 146129502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).