5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine

C13H24N4 — CID 80822887

IUPAC5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4/c1-5-7-8-10(3)17-13-11(6-2)12(14-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyCEFMXVXUMGIDLA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.07
Rot. Bonds7

About 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80822887) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80822887
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCC(C)Nc1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4/c1-5-7-8-10(3)17-13-11(6-2)12(14-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyCEFMXVXUMGIDLA-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-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 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine (CID 80822887) is 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine is CCCCC(C)Nc1ncnc(NC)c1CC.
What is the InChIKey of 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is CEFMXVXUMGIDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-8-10(3)17-13-11(6-2)12(14-4)15-9-16-13/h9-10H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80822887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).