5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one

C10H14N4O2S — CID 110171619

IUPAC5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one
SMILESCSc1nc2c(c(=O)n1C)N(C(C)=O)CCN2
InChIInChI=1S/C10H14N4O2S/c1-6(15)14-5-4-11-8-7(14)9(16)13(2)10(12-8)17-3/h11H,4-5H2,1-3H3
InChIKeyVRVLXBWDSMOSDN-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.28
Rot. Bonds1

About 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one

5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one (PubChem CID 110171619) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one.

Molecular Properties

Compound Name5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one
PubChem CID110171619
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one
SMILESCSc1nc2c(c(=O)n1C)N(C(C)=O)CCN2
InChIInChI=1S/C10H14N4O2S/c1-6(15)14-5-4-11-8-7(14)9(16)13(2)10(12-8)17-3/h11H,4-5H2,1-3H3
InChIKeyVRVLXBWDSMOSDN-UHFFFAOYSA-N
XLogP0.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one?
The IUPAC name of 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one (CID 110171619) is 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one.
What is the SMILES notation for 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one?
The canonical SMILES for 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one is CSc1nc2c(c(=O)n1C)N(C(C)=O)CCN2.
What is the InChIKey of 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one?
The InChIKey is VRVLXBWDSMOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6(15)14-5-4-11-8-7(14)9(16)13(2)10(12-8)17-3/h11H,4-5H2,1-3H3.
What are the key properties of 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one?
5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one has a molecular weight of 254.31 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-2-methylsulfanyl-7,8-dihydro-6H-pteridin-4-one is sourced from PubChem (CID 110171619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).