2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one

C14H15N5OS — CID 62922151

IUPAC2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-7-4-5-11(20)19(18-7)6-10-16-13(15)12-8(2)9(3)21-14(12)17-10/h4-5H,6H2,1-3H3,(H2,15,16,17)
InChIKeyQITHKGIIZWIISF-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.80
Rot. Bonds2

About 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one (PubChem CID 62922151) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
PubChem CID62922151
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2nc(N)c3c(C)c(C)sc3n2)n1
InChIInChI=1S/C14H15N5OS/c1-7-4-5-11(20)19(18-7)6-10-16-13(15)12-8(2)9(3)21-14(12)17-10/h4-5H,6H2,1-3H3,(H2,15,16,17)
InChIKeyQITHKGIIZWIISF-UHFFFAOYSA-N
XLogP1.80
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one (CID 62922151) is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2nc(N)c3c(C)c(C)sc3n2)n1.
What is the InChIKey of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one?
The InChIKey is QITHKGIIZWIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7-4-5-11(20)19(18-7)6-10-16-13(15)12-8(2)9(3)21-14(12)17-10/h4-5H,6H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one?
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one has a molecular weight of 301.38 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62922151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).