[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C18H19ClN4O3S — CID 137363254

IUPAC[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(Cl)nc(N4CCCC4CO)c32)cc1
InChIInChI=1S/C18H19ClN4O3S/c1-12-4-6-14(7-5-12)27(25,26)23-10-8-15-16(23)17(21-18(19)20-15)22-9-2-3-13(22)11-24/h4-8,10,13,24H,2-3,9,11H2,1H3
InChIKeySUWYPZNKZBMPEP-UHFFFAOYSA-N
MW406.90 g/mol
LogP2.59
Rot. Bonds4

About [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 137363254) has the molecular formula C18H19ClN4O3S and a molecular weight of 406.90 g/mol. Its IUPAC name is [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID137363254
Molecular FormulaC18H19ClN4O3S
Molecular Weight406.90 g/mol
Exact Mass406.09
IUPAC Name[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)n2ccc3nc(Cl)nc(N4CCCC4CO)c32)cc1
InChIInChI=1S/C18H19ClN4O3S/c1-12-4-6-14(7-5-12)27(25,26)23-10-8-15-16(23)17(21-18(19)20-15)22-9-2-3-13(22)11-24/h4-8,10,13,24H,2-3,9,11H2,1H3
InChIKeySUWYPZNKZBMPEP-UHFFFAOYSA-N
XLogP2.59
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.90
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-methyl-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidine
CID 142498326
[1-(2-chloro-7-methylquinazolin-4-yl)pyrrolidin-2-yl]methanol;ethane
CID 142498271
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
(2S)-1-[5-(4-methylphenyl)sulfonyl-2-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 154040412
[(2R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol
CID 137363510
[(2S)-1-[5-chloro-3-(4-methylsulfonylphenyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 57023316
[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 142498248
[1-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 137363788
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 137363254) is [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cc1ccc(S(=O)(=O)n2ccc3nc(Cl)nc(N4CCCC4CO)c32)cc1.
What is the InChIKey of [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is SUWYPZNKZBMPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3S/c1-12-4-6-14(7-5-12)27(25,26)23-10-8-15-16(23)17(21-18(19)20-15)22-9-2-3-13(22)11-24/h4-8,10,13,24H,2-3,9,11H2,1H3.
What are the key properties of [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 406.90 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-5-(4-methylphenyl)sulfonylpyrrolo[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).