4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine

C16H24N4 — CID 80754270

IUPAC4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
SMILESCCCCN(CC)c1nc(NCC)nc2ccccc12
InChIInChI=1S/C16H24N4/c1-4-7-12-20(6-3)15-13-10-8-9-11-14(13)18-16(19-15)17-5-2/h8-11H,4-7,12H2,1-3H3,(H,17,18,19)
InChIKeyKVRYYQNKGNGMMT-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.69
Rot. Bonds7

About 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine

4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine (PubChem CID 80754270) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
PubChem CID80754270
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
SMILESCCCCN(CC)c1nc(NCC)nc2ccccc12
InChIInChI=1S/C16H24N4/c1-4-7-12-20(6-3)15-13-10-8-9-11-14(13)18-16(19-15)17-5-2/h8-11H,4-7,12H2,1-3H3,(H,17,18,19)
InChIKeyKVRYYQNKGNGMMT-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-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 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine (CID 80754270) is 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine is CCCCN(CC)c1nc(NCC)nc2ccccc12.
What is the InChIKey of 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine?
The InChIKey is KVRYYQNKGNGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-7-12-20(6-3)15-13-10-8-9-11-14(13)18-16(19-15)17-5-2/h8-11H,4-7,12H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine?
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine is sourced from PubChem (CID 80754270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).