2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine

C15H18BrN3S — CID 62008503

IUPAC2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccc(Br)s3)ncc21
InChIInChI=1S/C15H18BrN3S/c1-15(2)6-10(17-3)9-8-18-14(19-11(9)7-15)12-4-5-13(16)20-12/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyDNQNRQHEQLPEGK-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.20
Rot. Bonds2

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

2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62008503) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62008503
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(-c3ccc(Br)s3)ncc21
InChIInChI=1S/C15H18BrN3S/c1-15(2)6-10(17-3)9-8-18-14(19-11(9)7-15)12-4-5-13(16)20-12/h4-5,8,10,17H,6-7H2,1-3H3
InChIKeyDNQNRQHEQLPEGK-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 62008503) is 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(-c3ccc(Br)s3)ncc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is DNQNRQHEQLPEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-15(2)6-10(17-3)9-8-18-14(19-11(9)7-15)12-4-5-13(16)20-12/h4-5,8,10,17H,6-7H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 352.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62008503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).