3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one

C10H13N3OS — CID 118729734

IUPAC3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCNc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C10H13N3OS/c1-3-11-10-12-7-5-6-15-8(7)9(14)13(10)4-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRCXSBYYVNPYIFK-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.91
Rot. Bonds3

About 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729734) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729734
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCCNc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C10H13N3OS/c1-3-11-10-12-7-5-6-15-8(7)9(14)13(10)4-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRCXSBYYVNPYIFK-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one (CID 118729734) is 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one is CCNc1nc2ccsc2c(=O)n1CC.
What is the InChIKey of 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RCXSBYYVNPYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-11-10-12-7-5-6-15-8(7)9(14)13(10)4-2/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(ethylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).