2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine

C17H17BrN4 — CID 91966058

IUPAC2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H17BrN4/c1-11(2)19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyNDJSRTVDKNZMDD-UHFFFAOYSA-N
MW357.26 g/mol
LogP4.96
Rot. Bonds4

About 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine

2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 91966058) has the molecular formula C17H17BrN4 and a molecular weight of 357.26 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID91966058
Molecular FormulaC17H17BrN4
Molecular Weight357.26 g/mol
Exact Mass356.06
IUPAC Name2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)Nc1nc(Nc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C17H17BrN4/c1-11(2)19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-11H,1-2H3,(H2,19,20,21,22)
InChIKeyNDJSRTVDKNZMDD-UHFFFAOYSA-N
XLogP4.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-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

2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
3-[[4-(propan-2-ylamino)quinazolin-2-yl]amino]benzoic acid
CID 91966067
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
2-[[2-(pyridin-4-ylamino)quinazolin-4-yl]amino]propanoic acid
CID 91964013
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-N-(2-ethoxyphenyl)-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966057
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine (CID 91966058) is 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine is CC(C)Nc1nc(Nc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is NDJSRTVDKNZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4/c1-11(2)19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-11H,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine?
2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 357.26 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-4-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 91966058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).