2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine

C13H10BrN3S — CID 66303207

IUPAC2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2csc3ccccc23)nc(N)c1Br
InChIInChI=1S/C13H10BrN3S/c1-7-11(14)12(15)17-13(16-7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,15,16,17)
InChIKeyQILXBHHUDYNZHV-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.01
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine

2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine (PubChem CID 66303207) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
PubChem CID66303207
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
SMILESCc1nc(-c2csc3ccccc23)nc(N)c1Br
InChIInChI=1S/C13H10BrN3S/c1-7-11(14)12(15)17-13(16-7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,15,16,17)
InChIKeyQILXBHHUDYNZHV-UHFFFAOYSA-N
XLogP4.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
5,7-Dimethyl-6-(thiophen-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531531
4-(3-Methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878170
N-(1-benzothiophen-2-ylmethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 46989293
5-(Benzothiophen-3-yl)-4-(5-bromo-2-thienyl)pyrimidine
CID 118735948
2-(Thiophen-2-yl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-amine
CID 863538
4-Phenyl-6-(thiophen-2-yl)pyrimidin-2-amine
CID 12762030
Thiazolo[4,5-b]pyridine,6-bromo-5-methyl-2-phenyl-
CID 44427393
N-(3-bromophenyl)-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
CID 164611405
N-(4-bromophenyl)-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
CID 164613015
N-methyl-2-[(E)-2-phenylethenyl]thieno[3,2-d]pyrimidin-4-amine
CID 164622289
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-6-(3-methyl-1-benzothiophen-5-yl)pyrimidin-4-amine
CID 127035051

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine (CID 66303207) is 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine is Cc1nc(-c2csc3ccccc23)nc(N)c1Br.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine?
The InChIKey is QILXBHHUDYNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-7-11(14)12(15)17-13(16-7)9-6-18-10-5-3-2-4-8(9)10/h2-6H,1H3,(H2,15,16,17).
What are the key properties of 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine has a molecular weight of 320.22 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66303207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).