4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine

C18H22N4O3S — CID 91624734

IUPAC4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(CCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C18H22N4O3S/c23-26(24,11-6-15-4-2-1-3-5-15)22-13-16-12-19-18(20-17(16)14-22)21-7-9-25-10-8-21/h1-5,12H,6-11,13-14H2
InChIKeyVDGBZSAUQICCER-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.20
Rot. Bonds5

About 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine

4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine (PubChem CID 91624734) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
PubChem CID91624734
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
SMILESO=S(=O)(CCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C18H22N4O3S/c23-26(24,11-6-15-4-2-1-3-5-15)22-13-16-12-19-18(20-17(16)14-22)21-7-9-25-10-8-21/h1-5,12H,6-11,13-14H2
InChIKeyVDGBZSAUQICCER-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(2,6-difluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine
CID 86264634
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenoxyethanone
CID 86264559
4-(3-phenylpropylsulfonyl)morpholine
CID 560201
4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
CID 86264718
N-methyl-2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-amine
CID 145047462
3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
CID 91813692
N-(5-morpholin-4-yl-2-pyridinyl)-2-phenylethanesulfonamide
CID 113025343
1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-naphthalen-1-ylethanone
CID 86264700
4-[1-(2-phenylethylsulfonyl)-2,3-dihydroindol-5-yl]morpholine
CID 110316285
[(1R)-cyclohex-3-en-1-yl]-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 99984455
1-(2-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 86264577

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine (CID 91624734) is 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine is O=S(=O)(CCc1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
The InChIKey is VDGBZSAUQICCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-26(24,11-6-15-4-2-1-3-5-15)22-13-16-12-19-18(20-17(16)14-22)21-7-9-25-10-8-21/h1-5,12H,6-11,13-14H2.
What are the key properties of 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine?
4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine has a molecular weight of 374.47 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-phenylethylsulfonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 91624734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).