4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine

C18H19BrN4 — CID 152645355

IUPAC4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
SMILESCCC(C)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H19BrN4/c1-3-12(2)22-15-7-8-17-16(10-15)18(21-11-20-17)23-14-6-4-5-13(19)9-14/h4-12,22H,3H2,1-2H3,(H,20,21,23)
InChIKeyZGKSEODDSSFPPF-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.35
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine

4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine (PubChem CID 152645355) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
PubChem CID152645355
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
SMILESCCC(C)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C18H19BrN4/c1-3-12(2)22-15-7-8-17-16(10-15)18(21-11-20-17)23-14-6-4-5-13(19)9-14/h4-12,22H,3H2,1-2H3,(H,20,21,23)
InChIKeyZGKSEODDSSFPPF-UHFFFAOYSA-N
XLogP5.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
CID 11270441
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-oxopent-2-enamide
CID 5329078
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
CID 45141352
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
4-N-(3-bromophenyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80737681
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(1-methylpiperidin-4-ylidene)acetamide
CID 59382717

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine (CID 152645355) is 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine is CCC(C)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine?
The InChIKey is ZGKSEODDSSFPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-3-12(2)22-15-7-8-17-16(10-15)18(21-11-20-17)23-14-6-4-5-13(19)9-14/h4-12,22H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine has a molecular weight of 371.28 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine is sourced from PubChem (CID 152645355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).