1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

C16H21BrN4 — CID 121254788

IUPAC1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H21BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,18,19,20)
InChIKeyHVAGKLZKSAONKO-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.68
Rot. Bonds3

About 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine

1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 121254788) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID121254788
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H21BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,18,19,20)
InChIKeyHVAGKLZKSAONKO-UHFFFAOYSA-N
XLogP3.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pd 168393
CID 4708
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
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
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
N4-(3-bromophenyl)-4,6,7-Quinazolinetriamine
CID 2426

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 121254788) is 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is HVAGKLZKSAONKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,18,19,20).
What are the key properties of 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine?
1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 349.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-bromoquinazolin-4-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 121254788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).