2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H9BrClN3S2 — CID 102844127

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(Cl)s2)nc2c1CSC2
InChIInChI=1S/C11H9BrClN3S2/c1-14-10-5-3-17-4-7(5)15-11(16-10)8-2-6(12)9(13)18-8/h2H,3-4H2,1H3,(H,14,15,16)
InChIKeyOPHRQRCAUOJULA-UHFFFAOYSA-N
MW362.71 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 102844127) has the molecular formula C11H9BrClN3S2 and a molecular weight of 362.71 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID102844127
Molecular FormulaC11H9BrClN3S2
Molecular Weight362.71 g/mol
Exact Mass360.91
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(-c2cc(Br)c(Cl)s2)nc2c1CSC2
InChIInChI=1S/C11H9BrClN3S2/c1-14-10-5-3-17-4-7(5)15-11(16-10)8-2-6(12)9(13)18-8/h2H,3-4H2,1H3,(H,14,15,16)
InChIKeyOPHRQRCAUOJULA-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

[2-(4,5-dibromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 102844254
2-(2,4-dichlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201654
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
2-(2-bromo-4-fluorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107281484
2-(4-bromo-5-methylthiophen-2-yl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 102843853
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443
N-methyl-2-(1,3-thiazol-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191389
[2-(5-bromothiophen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83200526
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473662
2-(2,6-dimethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200997
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 102843967

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 102844127) is 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(-c2cc(Br)c(Cl)s2)nc2c1CSC2.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is OPHRQRCAUOJULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3S2/c1-14-10-5-3-17-4-7(5)15-11(16-10)8-2-6(12)9(13)18-8/h2H,3-4H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 362.71 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 102844127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).