7-methyl-3H-thieno[3,2-d]pyrimidin-4-one

C7H6N2OS — CID 135439636

IUPAC7-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)[nH]cnc12
InChIInChI=1S/C7H6N2OS/c1-4-2-11-6-5(4)8-3-9-7(6)10/h2-3H,1H3,(H,8,9,10)
InChIKeyKJTYNZWEAIRZHT-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.29
Rot. Bonds

About 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one

7-methyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135439636) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135439636
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name7-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)[nH]cnc12
InChIInChI=1S/C7H6N2OS/c1-4-2-11-6-5(4)8-3-9-7(6)10/h2-3H,1H3,(H,8,9,10)
InChIKeyKJTYNZWEAIRZHT-UHFFFAOYSA-N
XLogP1.29
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 135439636) is 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)[nH]cnc12.
What is the InChIKey of 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KJTYNZWEAIRZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-4-2-11-6-5(4)8-3-9-7(6)10/h2-3H,1H3,(H,8,9,10).
What are the key properties of 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-methyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 166.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135439636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).