2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C14H16BrN3S — CID 62010113

IUPAC2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3cc(Br)cs3)ncc2C(N)C1
InChIInChI=1S/C14H16BrN3S/c1-14(2)4-10(16)9-6-17-13(18-11(9)5-14)12-3-8(15)7-19-12/h3,6-7,10H,4-5,16H2,1-2H3
InChIKeyNUBYIORGDWFVKA-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.94
Rot. Bonds1

About 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62010113) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62010113
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(-c3cc(Br)cs3)ncc2C(N)C1
InChIInChI=1S/C14H16BrN3S/c1-14(2)4-10(16)9-6-17-13(18-11(9)5-14)12-3-8(15)7-19-12/h3,6-7,10H,4-5,16H2,1-2H3
InChIKeyNUBYIORGDWFVKA-UHFFFAOYSA-N
XLogP3.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 62010113) is 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(-c3cc(Br)cs3)ncc2C(N)C1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is NUBYIORGDWFVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-14(2)4-10(16)9-6-17-13(18-11(9)5-14)12-3-8(15)7-19-12/h3,6-7,10H,4-5,16H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 338.27 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62010113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).