4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine

C12H22N4 — CID 80754266

IUPAC4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVKIQIVCBEZPLAS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.25
Rot. Bonds6

About 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine

4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine (PubChem CID 80754266) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
PubChem CID80754266
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
SMILESCCCCN(CC)c1ncnc(N)c1CC
InChIInChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15)
InChIKeyVKIQIVCBEZPLAS-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-4-N,5-diethylpyrimidine-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 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine (CID 80754266) is 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine is CCCCN(CC)c1ncnc(N)c1CC.
What is the InChIKey of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
The InChIKey is VKIQIVCBEZPLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-7-8-16(6-3)12-10(5-2)11(13)14-9-15-12/h9H,4-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine?
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80754266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).