2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

C17H24N4O2S — CID 86264613

IUPAC2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESO=C(CSC1CCCC1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H24N4O2S/c22-16(12-24-14-3-1-2-4-14)21-10-13-9-18-17(19-15(13)11-21)20-5-7-23-8-6-20/h9,14H,1-8,10-12H2
InChIKeyFVYZFCOLFXUGON-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (PubChem CID 86264613) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
PubChem CID86264613
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESO=C(CSC1CCCC1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C17H24N4O2S/c22-16(12-24-14-3-1-2-4-14)21-10-13-9-18-17(19-15(13)11-21)20-5-7-23-8-6-20/h9,14H,1-8,10-12H2
InChIKeyFVYZFCOLFXUGON-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-isobutyl-6-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56750825
cyclopropyl(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264538
2-ethoxy-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)ethanone
CID 86264542
6-(1,1-dioxothiolan-3-yl)-2-morpholin-4-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 56730194
tert-butyl 2-morpholino-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
CID 119106458
4,4,4-trifluoro-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)butan-1-one
CID 92071800
2-tert-butyl-6-[(propylthio)acetyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56742127
2,2-dimethyl-1-(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)propan-1-one
CID 86264541
2-Morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 67543199
Methyl 2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 70299646
4-(6-Methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)morpholine
CID 118974125
4-(6-Ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)morpholine
CID 132046705

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (CID 86264613) is 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is O=C(CSC1CCCC1)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The InChIKey is FVYZFCOLFXUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-16(12-24-14-3-1-2-4-14)21-10-13-9-18-17(19-15(13)11-21)20-5-7-23-8-6-20/h9,14H,1-8,10-12H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone has a molecular weight of 348.47 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 86264613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).