6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine

C19H23N5O2 — CID 25099170

IUPAC6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine
SMILESCCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C19H23N5O2/c1-4-24(11-12-9-14(25-2)6-8-17(12)26-3)13-5-7-16-15(10-13)18(20)23-19(21)22-16/h5-10H,4,11H2,1-3H3,(H4,20,21,22,23)
InChIKeyZDKAQGINSFSQDO-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.84
Rot. Bonds6

About 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine

6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine (PubChem CID 25099170) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine
PubChem CID25099170
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine
SMILESCCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
InChIInChI=1S/C19H23N5O2/c1-4-24(11-12-9-14(25-2)6-8-17(12)26-3)13-5-7-16-15(10-13)18(20)23-19(21)22-16/h5-10H,4,11H2,1-3H3,(H4,20,21,22,23)
InChIKeyZDKAQGINSFSQDO-UHFFFAOYSA-N
XLogP2.84
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine 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 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The IUPAC name of 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine (CID 25099170) is 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine.
What is the SMILES notation for 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The canonical SMILES for 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine is CCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1.
What is the InChIKey of 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine?
The InChIKey is ZDKAQGINSFSQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-24(11-12-9-14(25-2)6-8-17(12)26-3)13-5-7-16-15(10-13)18(20)23-19(21)22-16/h5-10H,4,11H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine?
6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine has a molecular weight of 353.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2,5-dimethoxyphenyl)methyl]-6-N-ethylquinazoline-2,4,6-triamine is sourced from PubChem (CID 25099170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).