2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine

C19H32N6O — CID 67717855

IUPAC2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine
SMILESCOc1cccc2c(NCCN(C)C)nc(NCCCCCCN)nc12
InChIInChI=1S/C19H32N6O/c1-25(2)14-13-21-18-15-9-8-10-16(26-3)17(15)23-19(24-18)22-12-7-5-4-6-11-20/h8-10H,4-7,11-14,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyBMCYWNBYPNQZAB-UHFFFAOYSA-N
MW360.51 g/mol
LogP2.54
Rot. Bonds12

About 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine

2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine (PubChem CID 67717855) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine
PubChem CID67717855
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine
SMILESCOc1cccc2c(NCCN(C)C)nc(NCCCCCCN)nc12
InChIInChI=1S/C19H32N6O/c1-25(2)14-13-21-18-15-9-8-10-16(26-3)17(15)23-19(24-18)22-12-7-5-4-6-11-20/h8-10H,4-7,11-14,20H2,1-3H3,(H2,21,22,23,24)
InChIKeyBMCYWNBYPNQZAB-UHFFFAOYSA-N
XLogP2.54
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-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 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine (CID 67717855) is 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine is COc1cccc2c(NCCN(C)C)nc(NCCCCCCN)nc12.
What is the InChIKey of 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine?
The InChIKey is BMCYWNBYPNQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-25(2)14-13-21-18-15-9-8-10-16(26-3)17(15)23-19(24-18)22-12-7-5-4-6-11-20/h8-10H,4-7,11-14,20H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine?
2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine has a molecular weight of 360.51 g/mol, XLogP of 2.54, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-aminohexyl)-4-N-[2-(dimethylamino)ethyl]-8-methoxyquinazoline-2,4-diamine is sourced from PubChem (CID 67717855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).