(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol

C12H19N5O2 — CID 143936926

IUPAC(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol
SMILESCC[C@@H](CO)O[C@H](C)n1cc(N)c2c(N)ncnc21
InChIInChI=1S/C12H19N5O2/c1-3-8(5-18)19-7(2)17-4-9(13)10-11(14)15-6-16-12(10)17/h4,6-8,18H,3,5,13H2,1-2H3,(H2,14,15,16)/t7-,8+/m1/s1
InChIKeyRYCWPNZJSQMNNI-SFYZADRCSA-N
MW265.32 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol

(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol (PubChem CID 143936926) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol
PubChem CID143936926
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol
SMILESCC[C@@H](CO)O[C@H](C)n1cc(N)c2c(N)ncnc21
InChIInChI=1S/C12H19N5O2/c1-3-8(5-18)19-7(2)17-4-9(13)10-11(14)15-6-16-12(10)17/h4,6-8,18H,3,5,13H2,1-2H3,(H2,14,15,16)/t7-,8+/m1/s1
InChIKeyRYCWPNZJSQMNNI-SFYZADRCSA-N
XLogP0.90
TPSA112.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol with MolForge

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Related Compounds

(2R)-2-[(1R)-1-(6-aminopurin-9-yl)-2-methoxyethoxy]butan-1-ol
CID 171447656
propan-2-yl 2-[[2-[1-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butoxy-phenoxyphosphanyl]amino]propanoate
CID 134425230
5-methyl-7-(5-methylhexan-2-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 144983828
(4-amino-7-butan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-phenylmethanone
CID 141090867
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
(1R,2S)-1-(6-aminopurin-9-yl)-1-[(2S)-1-chloro-3-hydroxypropan-2-yl]oxypropan-2-ol
CID 121245886
9-[1-[(3S)-2-methoxypentan-3-yl]oxyethyl]purin-6-amine
CID 173465384
[(3S)-3-[1-(6-aminopurin-9-yl)ethoxy]-1-hydroxypentan-2-yl] methyl hydrogen phosphate
CID 173465381
5-tert-butyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 59021381
2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]propane-1,3-diol
CID 19597498
3-(4-amino-7-butan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-5-fluorophenol
CID 129147459
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol?
The IUPAC name of (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol (CID 143936926) is (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol?
The canonical SMILES for (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol is CC[C@@H](CO)O[C@H](C)n1cc(N)c2c(N)ncnc21.
What is the InChIKey of (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol?
The InChIKey is RYCWPNZJSQMNNI-SFYZADRCSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-8(5-18)19-7(2)17-4-9(13)10-11(14)15-6-16-12(10)17/h4,6-8,18H,3,5,13H2,1-2H3,(H2,14,15,16)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol?
(2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-(4,5-diaminopyrrolo[2,3-d]pyrimidin-7-yl)ethoxy]butan-1-ol is sourced from PubChem (CID 143936926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).