N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine

C16H16N4 — CID 60894383

IUPACN-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1ccccc1N)c1ncnc2ccccc12
InChIInChI=1S/C16H16N4/c1-20(10-12-6-2-4-8-14(12)17)16-13-7-3-5-9-15(13)18-11-19-16/h2-9,11H,10,17H2,1H3
InChIKeyXYTGPYHXISOYPZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.85
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine

N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine (PubChem CID 60894383) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
PubChem CID60894383
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine
SMILESCN(Cc1ccccc1N)c1ncnc2ccccc12
InChIInChI=1S/C16H16N4/c1-20(10-12-6-2-4-8-14(12)17)16-13-7-3-5-9-15(13)18-11-19-16/h2-9,11H,10,17H2,1H3
InChIKeyXYTGPYHXISOYPZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethylquinazolin-4-amine
CID 60894206
N-[(5-amino-2-chlorophenyl)methyl]-N-methylquinazolin-4-amine
CID 60894555
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
CID 60871553
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylquinazolin-4-amine
CID 38773020
N-(4-acetamidophenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437368
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine (CID 60894383) is N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine is CN(Cc1ccccc1N)c1ncnc2ccccc12.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine?
The InChIKey is XYTGPYHXISOYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(10-12-6-2-4-8-14(12)17)16-13-7-3-5-9-15(13)18-11-19-16/h2-9,11H,10,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine?
N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methylquinazolin-4-amine is sourced from PubChem (CID 60894383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).