7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C18H20N4OS — CID 3078689

IUPAC7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2cnc(N3CCC(Sc4ccccc4)CC3)nc21
InChIInChI=1S/C18H20N4OS/c1-21-16(23)11-13-12-19-18(20-17(13)21)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeyCXXLCBGTFFWHIY-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.76
Rot. Bonds3

About 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078689) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078689
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCN1C(=O)Cc2cnc(N3CCC(Sc4ccccc4)CC3)nc21
InChIInChI=1S/C18H20N4OS/c1-21-16(23)11-13-12-19-18(20-17(13)21)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3
InChIKeyCXXLCBGTFFWHIY-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 3078657
ethyl 1-(7-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-4-carboxylate
CID 3078665
1-[2-(4-anilinopiperidin-1-yl)-5-methylpyrimidin-4-yl]-N-phenylpiperidin-4-amine
CID 133349158
5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one
CID 24988082
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
1-methyl-4-(4-nitrophenyl)sulfanylpiperidine
CID 10800812
2-(1-methylpiperidin-4-yl)sulfanylpyrimidine
CID 18723016
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
CID 155415211
7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 14553092

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078689) is 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CN1C(=O)Cc2cnc(N3CCC(Sc4ccccc4)CC3)nc21.
What is the InChIKey of 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is CXXLCBGTFFWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21-16(23)11-13-12-19-18(20-17(13)21)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3.
What are the key properties of 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 340.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-phenylsulfanylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 3078689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).