4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine

C13H18N4O — CID 80792753

IUPAC4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCOCCNc1nc(NC)nc2ccccc12
InChIInChI=1S/C13H18N4O/c1-3-18-9-8-15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyNYQBEXLYPCEGBS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds6

About 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine

4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80792753) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80792753
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCCOCCNc1nc(NC)nc2ccccc12
InChIInChI=1S/C13H18N4O/c1-3-18-9-8-15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyNYQBEXLYPCEGBS-UHFFFAOYSA-N
XLogP2.12
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-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

Related Compounds

4-N-(2-ethoxyethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80793590
2-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]quinazoline-2,4-diamine
CID 80819151
4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
CID 114944660
methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-methylquinazoline-2,4-diamine
CID 80812879
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine (CID 80792753) is 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine is CCOCCNc1nc(NC)nc2ccccc12.
What is the InChIKey of 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is NYQBEXLYPCEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-18-9-8-15-12-10-6-4-5-7-11(10)16-13(14-2)17-12/h4-7H,3,8-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80792753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).