2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

C13H13BrN4S2 — CID 62208958

IUPAC2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1csc(Br)c1)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H13BrN4S2/c1-18(5-8-4-10(14)20-7-8)6-11-16-12(15)9-2-3-19-13(9)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17)
InChIKeyNYNPWDMEVNNJQU-UHFFFAOYSA-N
MW369.31 g/mol
LogP3.73
Rot. Bonds4

About 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine

2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208958) has the molecular formula C13H13BrN4S2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62208958
Molecular FormulaC13H13BrN4S2
Molecular Weight369.31 g/mol
Exact Mass367.98
IUPAC Name2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1csc(Br)c1)Cc1nc(N)c2ccsc2n1
InChIInChI=1S/C13H13BrN4S2/c1-18(5-8-4-10(14)20-7-8)6-11-16-12(15)9-2-3-19-13(9)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17)
InChIKeyNYNPWDMEVNNJQU-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62208958) is 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is CN(Cc1csc(Br)c1)Cc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NYNPWDMEVNNJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S2/c1-18(5-8-4-10(14)20-7-8)6-11-16-12(15)9-2-3-19-13(9)17-11/h2-4,7H,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[[(5-bromothiophen-3-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-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).