2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C9H10N2OS — CID 857577

IUPAC2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C9H10N2OS/c1-4-5(2)13-9-7(4)8(12)10-6(3)11-9/h1-3H3,(H,10,11,12)
InChIKeyONHXPYXOJCRCBR-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.91
Rot. Bonds

About 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 857577) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID857577
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C9H10N2OS/c1-4-5(2)13-9-7(4)8(12)10-6(3)11-9/h1-3H3,(H,10,11,12)
InChIKeyONHXPYXOJCRCBR-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 857577) is 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(C)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ONHXPYXOJCRCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-4-5(2)13-9-7(4)8(12)10-6(3)11-9/h1-3H3,(H,10,11,12).
What are the key properties of 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 194.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 857577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).