2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

C7H9N3OS — CID 137197405

IUPAC2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)[nH]1)CCN2
InChIInChI=1S/C7H9N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyWBGNMEQOGZGDJL-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.46
Rot. Bonds1

About 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one

2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137197405) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137197405
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)[nH]1)CCN2
InChIInChI=1S/C7H9N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyWBGNMEQOGZGDJL-UHFFFAOYSA-N
XLogP0.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 5104721
4-(2-methylsulfanylphenyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3563795
4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3930641
5-fluoro-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carbaldehyde
CID 137226312
ethane;2-methylsulfanyl-5,8-dihydro-3H-pteridine-4,6,7-trione
CID 145022040
4,5-diethyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 136620694
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136965337
2-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136727381
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447837
4-(5-methylthiophen-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3669164
2-(1-ethoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136983325

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one (CID 137197405) is 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is CSc1nc2c(c(=O)[nH]1)CCN2.
What is the InChIKey of 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is WBGNMEQOGZGDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-12-7-9-5-4(2-3-8-5)6(11)10-7/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one?
2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 183.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137197405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).