2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine

C15H13BrN4 — CID 84608604

IUPAC2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
SMILESNCc1nc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C15H13BrN4/c16-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)19-14(9-17)20-15/h1-8H,9,17H2,(H,18,19,20)
InChIKeyNVVBFOSKUNJANB-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds3

About 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine

2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine (PubChem CID 84608604) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
PubChem CID84608604
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine
SMILESNCc1nc(Nc2cccc(Br)c2)c2ccccc2n1
InChIInChI=1S/C15H13BrN4/c16-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)19-14(9-17)20-15/h1-8H,9,17H2,(H,18,19,20)
InChIKeyNVVBFOSKUNJANB-UHFFFAOYSA-N
XLogP3.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride
CID 118386833
2-(fluoromethyl)-N-phenylquinazolin-4-amine
CID 67336350
6-N-benzyl-5-N-(3-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 564126
3-bromo-N-phenylaniline
CID 14958606
3-[[2-[2-(dimethylamino)ethyl]quinazolin-4-yl]amino]phenol;hydrochloride
CID 20982605
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
3-(3-bromophenyl)-1-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]-1-methylurea
CID 58797439
(2S)-2-[[2-[[(3-bromophenyl)carbamoylamino]methyl]quinazolin-4-yl]amino]-3-methylbutanamide
CID 58797109
N-(3-bromophenyl)-4-chlorophthalazin-1-amine
CID 63549234
4-N-(4-bromo-3-fluorophenyl)quinazoline-2,4-diamine
CID 80843172
N-ethyl-4-(3-methylanilino)quinazoline-2-carboxamide
CID 20966077

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine (CID 84608604) is 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine is NCc1nc(Nc2cccc(Br)c2)c2ccccc2n1.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine?
The InChIKey is NVVBFOSKUNJANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c16-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)19-14(9-17)20-15/h1-8H,9,17H2,(H,18,19,20).
What are the key properties of 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine?
2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine has a molecular weight of 329.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromophenyl)quinazolin-4-amine is sourced from PubChem (CID 84608604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).