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

C10H16N2OS — CID 170981034

IUPAC3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen
SMILESCCc1cc2c(s1)CN(CC)C(=O)N2.[H][H]
InChIInChI=1S/C10H14N2OS.H2/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);1H
InChIKeyVUXOAIJOIKXIHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.92
Rot. Bonds2

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

3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen (PubChem CID 170981034) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen
PubChem CID170981034
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen
SMILESCCc1cc2c(s1)CN(CC)C(=O)N2.[H][H]
InChIInChI=1S/C10H14N2OS.H2/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);1H
InChIKeyVUXOAIJOIKXIHT-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.92
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;molecular hydrogen?
The IUPAC name of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen (CID 170981034) is 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen.
What is the SMILES notation for 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen?
The canonical SMILES for 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen is CCc1cc2c(s1)CN(CC)C(=O)N2.[H][H].
What is the InChIKey of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen?
The InChIKey is VUXOAIJOIKXIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.H2/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);1H.
What are the key properties of 3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen?
3,6-diethyl-1,4-dihydrothieno[3,2-d]pyrimidin-2-one;molecular hydrogen has a molecular weight of 212.32 g/mol, XLogP of 2.92, 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;molecular hydrogen is sourced from PubChem (CID 170981034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).