2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

C13H13BrN4S2 — CID 62184253

IUPAC2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2ccsc2n1)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrN4S2/c1-18(5-9-4-8(14)7-20-9)6-11-16-12(15)10-2-3-19-13(10)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17)
InChIKeyOPIARMVAYAHLBX-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.73
Rot. Bonds4

About 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184253) has the molecular formula C13H13BrN4S2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62184253
Molecular FormulaC13H13BrN4S2
Molecular Weight369.31 g/mol
Exact Mass367.98
IUPAC Name2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1nc(N)c2ccsc2n1)Cc1cc(Br)cs1
InChIInChI=1S/C13H13BrN4S2/c1-18(5-9-4-8(14)7-20-9)6-11-16-12(15)10-2-3-19-13(10)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17)
InChIKeyOPIARMVAYAHLBX-UHFFFAOYSA-N
XLogP3.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62183349
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208958
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propan-2-ol
CID 62336603
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanenitrile
CID 55046681
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
N'-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102996867
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-fluoroaniline
CID 63189170
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
N-[(4-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-N-methylmethanamine
CID 63458325
2-[(3,4-dimethylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 55130279

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62184253) is 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is CN(Cc1nc(N)c2ccsc2n1)Cc1cc(Br)cs1.
What is the InChIKey of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OPIARMVAYAHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S2/c1-18(5-9-4-8(14)7-20-9)6-11-16-12(15)10-2-3-19-13(10)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).