2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C13H13N5OS — CID 103374942

IUPAC2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(C)c(C)sc3n2)nn1
InChIInChI=1S/C13H13N5OS/c1-6-7(2)20-13-10(6)11(14)15-12(16-13)8-4-5-9(19-3)18-17-8/h4-5H,1-3H3,(H2,14,15,16)
InChIKeyMYQVEGRTNODQBL-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.36
Rot. Bonds2

About 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103374942) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103374942
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c3c(C)c(C)sc3n2)nn1
InChIInChI=1S/C13H13N5OS/c1-6-7(2)20-13-10(6)11(14)15-12(16-13)8-4-5-9(19-3)18-17-8/h4-5H,1-3H3,(H2,14,15,16)
InChIKeyMYQVEGRTNODQBL-UHFFFAOYSA-N
XLogP2.36
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-fluoro-2-pyridinyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 79713337
5,6-dimethyl-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 63988359
2-(2-methoxy-4-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106792982
6-ethyl-2-(6-methoxypyridazin-3-yl)-5-methylpyrimidin-4-amine
CID 103375000
2-(2-fluoro-4-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 81301971
2-(furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025396
2-(6-methoxypyridazin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103374994
5-bromo-6-(methoxymethyl)-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375038
2-(2-chloro-4-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62944582
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 40973732
6-ethyl-2-(6-methoxypyridazin-3-yl)-N,5-dimethylpyrimidin-4-amine
CID 103375001

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 103374942) is 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2nc(N)c3c(C)c(C)sc3n2)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MYQVEGRTNODQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-6-7(2)20-13-10(6)11(14)15-12(16-13)8-4-5-9(19-3)18-17-8/h4-5H,1-3H3,(H2,14,15,16).
What are the key properties of 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103374942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).