2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C12H14N2OS — CID 75523584

IUPAC2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(CCC3CC3)nc2s1
InChIInChI=1S/C12H14N2OS/c1-7-6-9-11(15)13-10(14-12(9)16-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14,15)
InChIKeyJWNNFWFQBZBJAJ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 75523584) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID75523584
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(CCC3CC3)nc2s1
InChIInChI=1S/C12H14N2OS/c1-7-6-9-11(15)13-10(14-12(9)16-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14,15)
InChIKeyJWNNFWFQBZBJAJ-UHFFFAOYSA-N
XLogP2.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 75523584) is 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(CCC3CC3)nc2s1.
What is the InChIKey of 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JWNNFWFQBZBJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-7-6-9-11(15)13-10(14-12(9)16-7)5-4-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 75523584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).