5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

C14H13BrN4OS — CID 81147117

IUPAC5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc(COC)c1Br
InChIInChI=1S/C14H13BrN4OS/c1-16-14-12(15)10(7-20-2)18-13(19-14)8-5-11-9(17-6-8)3-4-21-11/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeySYOZGJOXKVQMJS-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.70
Rot. Bonds4

About 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (PubChem CID 81147117) has the molecular formula C14H13BrN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
PubChem CID81147117
Molecular FormulaC14H13BrN4OS
Molecular Weight365.26 g/mol
Exact Mass364.00
IUPAC Name5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc(COC)c1Br
InChIInChI=1S/C14H13BrN4OS/c1-16-14-12(15)10(7-20-2)18-13(19-14)8-5-11-9(17-6-8)3-4-21-11/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeySYOZGJOXKVQMJS-UHFFFAOYSA-N
XLogP3.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
5-bromo-2-(4-ethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66296421
5-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147116
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81148282
5-bromo-2-(3-bromo-4-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 115568320
5-bromo-2-(3,5-dichloro-2-pyridinyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79780264
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
5-bromo-2-(4-bromophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299985
5-bromo-N-ethyl-6-(methoxymethyl)-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (CID 81147117) is 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is CNc1nc(-c2cnc3ccsc3c2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The InChIKey is SYOZGJOXKVQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4OS/c1-16-14-12(15)10(7-20-2)18-13(19-14)8-5-11-9(17-6-8)3-4-21-11/h3-6H,7H2,1-2H3,(H,16,18,19).
What are the key properties of 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 365.26 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 81147117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).