1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine

C13H24N4O — CID 66328407

IUPAC1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
SMILESCCCOc1cc(NC(C)CCN(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-8-18-13-9-12(14-10-15-13)16-11(2)6-7-17(3)4/h9-11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyGLMCOXYKFGUSQW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.02
Rot. Bonds8

About 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine (PubChem CID 66328407) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
PubChem CID66328407
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
SMILESCCCOc1cc(NC(C)CCN(C)C)ncn1
InChIInChI=1S/C13H24N4O/c1-5-8-18-13-9-12(14-10-15-13)16-11(2)6-7-17(3)4/h9-11H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyGLMCOXYKFGUSQW-UHFFFAOYSA-N
XLogP2.02
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-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 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine (CID 66328407) is 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine is CCCOc1cc(NC(C)CCN(C)C)ncn1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is GLMCOXYKFGUSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-8-18-13-9-12(14-10-15-13)16-11(2)6-7-17(3)4/h9-11H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 66328407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).