6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

C8H9N3OS — CID 67821056

IUPAC6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCSc1ncc2c(n1)CN(C)C2=O
InChIInChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3
InChIKeyWETIJAOTJNIXEZ-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.78
Rot. Bonds1

About 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one

6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (PubChem CID 67821056) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
PubChem CID67821056
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
SMILESCSc1ncc2c(n1)CN(C)C2=O
InChIInChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3
InChIKeyWETIJAOTJNIXEZ-UHFFFAOYSA-N
XLogP0.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxy-2-methylpropyl)-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 162384946
2,2-dideuterio-1-methyl-7-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 142733070
6-(2-chlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 118164450
2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid
CID 138374174
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
CID 172701811
3-cyclohexyl-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 22125161
6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135381338
4-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperazin-2-one
CID 30887321
1-(2-fluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540326
2-methylsulfanylpyrimidin-5-ol
CID 588357
6-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913379
6-(2-chloro-6-fluorophenyl)-7-methyl-2-methylsulfanyl-7,8-dihydropyrimido[4,5-d]pyrimidin-5-one
CID 118164534

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The IUPAC name of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one (CID 67821056) is 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is CSc1ncc2c(n1)CN(C)C2=O.
What is the InChIKey of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
The InChIKey is WETIJAOTJNIXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-11-4-6-5(7(11)12)3-9-8(10-6)13-2/h3H,4H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one?
6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 67821056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).