6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine

C19H12Br2N4 — CID 5186659

IUPAC6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine
SMILESBrc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)nc1
InChIInChI=1S/C19H12Br2N4/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)25-19(23-16)24-17-9-7-14(21)11-22-17/h1-11H,(H,22,23,24,25)
InChIKeyNNPNCGDEPAXOPP-UHFFFAOYSA-N
MW456.14 g/mol
LogP5.96
Rot. Bonds3

About 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine

6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine (PubChem CID 5186659) has the molecular formula C19H12Br2N4 and a molecular weight of 456.14 g/mol. Its IUPAC name is 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine
PubChem CID5186659
Molecular FormulaC19H12Br2N4
Molecular Weight456.14 g/mol
Exact Mass453.94
IUPAC Name6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine
SMILESBrc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)nc1
InChIInChI=1S/C19H12Br2N4/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)25-19(23-16)24-17-9-7-14(21)11-22-17/h1-11H,(H,22,23,24,25)
InChIKeyNNPNCGDEPAXOPP-UHFFFAOYSA-N
XLogP5.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.14
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ngd-8243
CID 11247522
Pd 158780
CID 4707
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
6-Bromoquipazine
CID 130261
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
Meridianin C
CID 10017019
Sri-9439
CID 446752
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine (CID 5186659) is 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine is Brc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)nc1.
What is the InChIKey of 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine?
The InChIKey is NNPNCGDEPAXOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N4/c20-13-6-8-16-15(10-13)18(12-4-2-1-3-5-12)25-19(23-16)24-17-9-7-14(21)11-22-17/h1-11H,(H,22,23,24,25).
What are the key properties of 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine?
6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine has a molecular weight of 456.14 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-bromo-2-pyridinyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 5186659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).