N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine

C15H28N4O — CID 71457254

IUPACN',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1nc(C)c(OC)c(C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)11-9-8-10-16-15-17-12(3)14(20-5)13(4)18-15/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyKEGJFTHUNLQGTA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.64
Rot. Bonds9

About N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine

N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine (PubChem CID 71457254) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine
PubChem CID71457254
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine
SMILESCCN(CC)CCCCNc1nc(C)c(OC)c(C)n1
InChIInChI=1S/C15H28N4O/c1-6-19(7-2)11-9-8-10-16-15-17-12(3)14(20-5)13(4)18-15/h6-11H2,1-5H3,(H,16,17,18)
InChIKeyKEGJFTHUNLQGTA-UHFFFAOYSA-N
XLogP2.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-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 N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine?
The IUPAC name of N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine (CID 71457254) is N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine is CCN(CC)CCCCNc1nc(C)c(OC)c(C)n1.
What is the InChIKey of N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine?
The InChIKey is KEGJFTHUNLQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-19(7-2)11-9-8-10-16-15-17-12(3)14(20-5)13(4)18-15/h6-11H2,1-5H3,(H,16,17,18).
What are the key properties of N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine?
N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5-methoxy-4,6-dimethylpyrimidin-2-yl)butane-1,4-diamine is sourced from PubChem (CID 71457254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).