(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol

C12H18N6O2 — CID 11990569

IUPAC(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1ncnc2c(CCN3C[C@@H](CO)[C@@H](O)C3)[nH]nc12
InChIInChI=1S/C12H18N6O2/c13-12-11-10(14-6-15-12)8(16-17-11)1-2-18-3-7(5-19)9(20)4-18/h6-7,9,19-20H,1-5H2,(H,16,17)(H2,13,14,15)/t7-,9-/m0/s1
InChIKeyRXGXYYNDIGZMMW-CBAPKCEASA-N
MW278.32 g/mol
LogP-1.24
Rot. Bonds4

About (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol

(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 11990569) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID11990569
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1ncnc2c(CCN3C[C@@H](CO)[C@@H](O)C3)[nH]nc12
InChIInChI=1S/C12H18N6O2/c13-12-11-10(14-6-15-12)8(16-17-11)1-2-18-3-7(5-19)9(20)4-18/h6-7,9,19-20H,1-5H2,(H,16,17)(H2,13,14,15)/t7-,9-/m0/s1
InChIKeyRXGXYYNDIGZMMW-CBAPKCEASA-N
XLogP-1.24
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-[(3-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 11990590
(3S,4R)-1-[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]-4-[(4-chlorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 25016939
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2H-triazol-4-ylmethyl)pyrrolidin-3-ol
CID 123905548
2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)pyrrolidin-3-ol
CID 142809613
1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-pentylpyrrolidin-3-ol
CID 123651063
(2R)-2-[[(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)methylamino]methyl]pentane-1,3-diol
CID 142864837
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
(3R)-1-[(4-amino-5H-cyclopenta[d]pyrimidin-7-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 159854721
(3S,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(butylsulfanylmethyl)pyrrolidin-3-ol
CID 73213610

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol (CID 11990569) is (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol is Nc1ncnc2c(CCN3C[C@@H](CO)[C@@H](O)C3)[nH]nc12.
What is the InChIKey of (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is RXGXYYNDIGZMMW-CBAPKCEASA-N. The full InChI is InChI=1S/C12H18N6O2/c13-12-11-10(14-6-15-12)8(16-17-11)1-2-18-3-7(5-19)9(20)4-18/h6-7,9,19-20H,1-5H2,(H,16,17)(H2,13,14,15)/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol?
(3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 278.32 g/mol, XLogP of -1.24, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)ethyl]-4-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 11990569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).