4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

C9H12N2OS — CID 70265295

IUPAC4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILESCCc1nc(C)nc2c1S(=O)CC2
InChIInChI=1S/C9H12N2OS/c1-3-7-9-8(4-5-13(9)12)11-6(2)10-7/h3-5H2,1-2H3
InChIKeyQSTNNPGFYJRMHL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.01
Rot. Bonds1

About 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide

4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (PubChem CID 70265295) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.

Molecular Properties

Compound Name4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
PubChem CID70265295
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
SMILESCCc1nc(C)nc2c1S(=O)CC2
InChIInChI=1S/C9H12N2OS/c1-3-7-9-8(4-5-13(9)12)11-6(2)10-7/h3-5H2,1-2H3
InChIKeyQSTNNPGFYJRMHL-UHFFFAOYSA-N
XLogP1.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The IUPAC name of 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide (CID 70265295) is 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide.
What is the SMILES notation for 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The canonical SMILES for 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is CCc1nc(C)nc2c1S(=O)CC2.
What is the InChIKey of 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
The InChIKey is QSTNNPGFYJRMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-3-7-9-8(4-5-13(9)12)11-6(2)10-7/h3-5H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide?
4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide has a molecular weight of 196.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide is sourced from PubChem (CID 70265295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).