(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol

C15H23N5O2 — CID 167819885

IUPAC(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol
SMILESCC(C)C1CCN(c2ncnc3c2ncn3C[C@H](O)CO)C1
InChIInChI=1S/C15H23N5O2/c1-10(2)11-3-4-19(5-11)14-13-15(17-8-16-14)20(9-18-13)6-12(22)7-21/h8-12,21-22H,3-7H2,1-2H3/t11?,12-/m0/s1
InChIKeyRGMWFRZUWXXBKV-KIYNQFGBSA-N
MW305.38 g/mol
LogP0.66
Rot. Bonds5

About (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol

(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol (PubChem CID 167819885) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol
PubChem CID167819885
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol
SMILESCC(C)C1CCN(c2ncnc3c2ncn3C[C@H](O)CO)C1
InChIInChI=1S/C15H23N5O2/c1-10(2)11-3-4-19(5-11)14-13-15(17-8-16-14)20(9-18-13)6-12(22)7-21/h8-12,21-22H,3-7H2,1-2H3/t11?,12-/m0/s1
InChIKeyRGMWFRZUWXXBKV-KIYNQFGBSA-N
XLogP0.66
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-3-[6-[(1S,4S)-5-cyclopropyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]purin-9-yl]propane-1,2-diol
CID 166322344
2-methyl-3-[6-(3-quinazolin-4-ylpyrrolidin-1-yl)purin-9-yl]propan-1-ol
CID 167880070
(2S)-3-[6-[methyl(2-methylpentyl)amino]purin-9-yl]propane-1,2-diol
CID 166322354
(2S)-3-[6-(6-oxa-2-azaspiro[4.5]decan-2-yl)purin-9-yl]propane-1,2-diol
CID 167899959
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112626332
(2S)-1-ethoxy-3-[6-(propan-2-ylamino)purin-9-yl]propan-2-ol
CID 99839843
1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112627790
5-bromo-3-fluoro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine
CID 104924733
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092
[1-(9-ethylpurin-6-yl)-4-(2-methylpropylamino)piperidin-4-yl]methanol
CID 125420591

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol?
The IUPAC name of (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol (CID 167819885) is (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol?
The canonical SMILES for (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol is CC(C)C1CCN(c2ncnc3c2ncn3C[C@H](O)CO)C1.
What is the InChIKey of (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol?
The InChIKey is RGMWFRZUWXXBKV-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10(2)11-3-4-19(5-11)14-13-15(17-8-16-14)20(9-18-13)6-12(22)7-21/h8-12,21-22H,3-7H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol?
(2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol has a molecular weight of 305.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[6-(3-propan-2-ylpyrrolidin-1-yl)purin-9-yl]propane-1,2-diol is sourced from PubChem (CID 167819885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).