6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine

C19H20BrN3 — CID 67619024

IUPAC6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)c1ccc(CCNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H20BrN3/c1-13(2)15-5-3-14(4-6-15)9-10-21-19-17-11-16(20)7-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyZWHRHJKDVQLZDJ-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.17
Rot. Bonds5

About 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine

6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine (PubChem CID 67619024) has the molecular formula C19H20BrN3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
PubChem CID67619024
Molecular FormulaC19H20BrN3
Molecular Weight370.29 g/mol
Exact Mass369.08
IUPAC Name6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
SMILESCC(C)c1ccc(CCNc2ncnc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H20BrN3/c1-13(2)15-5-3-14(4-6-15)9-10-21-19-17-11-16(20)7-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyZWHRHJKDVQLZDJ-UHFFFAOYSA-N
XLogP5.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
6-chloro-N-[2-(4-propan-2-yloxyphenyl)ethyl]quinazolin-4-amine
CID 23632000
6-[bis(4-chlorophenyl)methyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 118916056
6-chloro-N-[2-(4-ethoxyphenyl)ethyl]quinazolin-4-amine
CID 23631998
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 133277817
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
CID 167828623
4-[[(6-bromoquinazolin-4-yl)amino]methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 86844952
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
CID 86305445
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine (CID 67619024) is 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine is CC(C)c1ccc(CCNc2ncnc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is ZWHRHJKDVQLZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3/c1-13(2)15-5-3-14(4-6-15)9-10-21-19-17-11-16(20)7-8-18(17)22-12-23-19/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine?
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 370.29 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 67619024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).