3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one

C10H14N2OS — CID 170981035

IUPAC3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one
SMILESCCc1cc2c(s1)CN(CC)C(=O)N2
InChIInChI=1S/C10H14N2OS/c1-3-7-5-8-9(14-7)6-12(4-2)10(13)11-8/h5H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyWSFVPASQEQXGBZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.68
Rot. Bonds2

About 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one

3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one (PubChem CID 170981035) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one
PubChem CID170981035
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one
SMILESCCc1cc2c(s1)CN(CC)C(=O)N2
InChIInChI=1S/C10H14N2OS/c1-3-7-5-8-9(14-7)6-12(4-2)10(13)11-8/h5H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyWSFVPASQEQXGBZ-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one?
The IUPAC name of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one (CID 170981035) is 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one?
The canonical SMILES for 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one is CCc1cc2c(s1)CN(CC)C(=O)N2.
What is the InChIKey of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one?
The InChIKey is WSFVPASQEQXGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-7-5-8-9(14-7)6-12(4-2)10(13)11-8/h5H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one?
3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one has a molecular weight of 210.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 170981035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).