4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one

C10H14N4O3S — CID 105356917

IUPAC4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one
SMILESCOc1ncnc2c1NC(=O)C(CCS(C)=O)N2
InChIInChI=1S/C10H14N4O3S/c1-17-10-7-8(11-5-12-10)13-6(9(15)14-7)3-4-18(2)16/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeySHMRGFREUYWRCM-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.01
Rot. Bonds4

About 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one

4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 105356917) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one
PubChem CID105356917
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one
SMILESCOc1ncnc2c1NC(=O)C(CCS(C)=O)N2
InChIInChI=1S/C10H14N4O3S/c1-17-10-7-8(11-5-12-10)13-6(9(15)14-7)3-4-18(2)16/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeySHMRGFREUYWRCM-UHFFFAOYSA-N
XLogP-0.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one (CID 105356917) is 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one is COc1ncnc2c1NC(=O)C(CCS(C)=O)N2.
What is the InChIKey of 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is SHMRGFREUYWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-17-10-7-8(11-5-12-10)13-6(9(15)14-7)3-4-18(2)16/h5-6H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one?
4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 270.31 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(2-methylsulfinylethyl)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 105356917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).