4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine

C13H18N4O — CID 104758827

IUPAC4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
SMILESCOC(C)(C)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-13(2,18-3)7-15-12-10-5-4-9(14)6-11(10)16-8-17-12/h4-6,8H,7,14H2,1-3H3,(H,15,16,17)
InChIKeyDEGJNZNWGXYMJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds4

About 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine

4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine (PubChem CID 104758827) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
PubChem CID104758827
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
SMILESCOC(C)(C)CNc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-13(2,18-3)7-15-12-10-5-4-9(14)6-11(10)16-8-17-12/h4-6,8H,7,14H2,1-3H3,(H,15,16,17)
InChIKeyDEGJNZNWGXYMJC-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-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

3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinazoline-4,7-diamine
CID 65336736
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine (CID 104758827) is 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine is COC(C)(C)CNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine?
The InChIKey is DEGJNZNWGXYMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,18-3)7-15-12-10-5-4-9(14)6-11(10)16-8-17-12/h4-6,8H,7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine?
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine is sourced from PubChem (CID 104758827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).