4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C9H13N3OS — CID 5104721

IUPAC4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCSCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C9H13N3OS/c1-14-5-3-7-6-2-4-10-8(6)12-9(13)11-7/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyACVKYCCMOQZDRG-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.64
Rot. Bonds3

About 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 5104721) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID5104721
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESCSCCc1[nH]c(=O)nc2c1CCN2
InChIInChI=1S/C9H13N3OS/c1-14-5-3-7-6-2-4-10-8(6)12-9(13)11-7/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyACVKYCCMOQZDRG-UHFFFAOYSA-N
XLogP0.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethoxyethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447837
3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3643510
4-tert-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3930641
2-methylsulfanyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 137197405
4-(2-methylsulfanylphenyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3563795
4-butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 4022870
4-[(4-methoxyphenyl)methyl]-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3993026
4-(5-methylthiophen-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3669164
3-(2-methylsulfanylethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
CID 3985387
4-[3-(dimethylamino)phenyl]-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3585379
4-(2-bromophenyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 4540023
4-(1,3-benzodioxol-5-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 3873365

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 5104721) is 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is CSCCc1[nH]c(=O)nc2c1CCN2.
What is the InChIKey of 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is ACVKYCCMOQZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-14-5-3-7-6-2-4-10-8(6)12-9(13)11-7/h2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 211.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 5104721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).