6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine

C13H7Br4N3S — CID 107966577

IUPAC6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)sc2Br)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C13H7Br4N3S/c1-18-12-6-2-5(14)3-8(15)10(6)19-13(20-12)7-4-9(16)21-11(7)17/h2-4H,1H3,(H,18,19,20)
InChIKeyBPYKRSOGZGFVPM-UHFFFAOYSA-N
MW556.90 g/mol
LogP6.45
Rot. Bonds2

About 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine

6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine (PubChem CID 107966577) has the molecular formula C13H7Br4N3S and a molecular weight of 556.90 g/mol. Its IUPAC name is 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine
PubChem CID107966577
Molecular FormulaC13H7Br4N3S
Molecular Weight556.90 g/mol
Exact Mass552.71
IUPAC Name6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cc(Br)sc2Br)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C13H7Br4N3S/c1-18-12-6-2-5(14)3-8(15)10(6)19-13(20-12)7-4-9(16)21-11(7)17/h2-4H,1H3,(H,18,19,20)
InChIKeyBPYKRSOGZGFVPM-UHFFFAOYSA-N
XLogP6.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.90
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dibromo-N-methyl-2-(5-methylthiophen-2-yl)quinazolin-4-amine
CID 64980923
6,8-dibromo-N-methyl-2-(1,1,2,2,2-pentafluoroethyl)quinazolin-4-amine
CID 64980921
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 71151557
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
CID 107966582
6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
CID 64981527

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine?
The IUPAC name of 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine (CID 107966577) is 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine is CNc1nc(-c2cc(Br)sc2Br)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine?
The InChIKey is BPYKRSOGZGFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br4N3S/c1-18-12-6-2-5(14)3-8(15)10(6)19-13(20-12)7-4-9(16)21-11(7)17/h2-4H,1H3,(H,18,19,20).
What are the key properties of 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine?
6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine has a molecular weight of 556.90 g/mol, XLogP of 6.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 107966577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).