(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C12H16N4O — CID 175667893

IUPAC(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC[C@@]1(O)CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C12H16N4O/c1-2-12(17)4-6-16(7-12)11-9-3-5-13-10(9)14-8-15-11/h3,5,8,17H,2,4,6-7H2,1H3,(H,13,14,15)/t12-/m1/s1
InChIKeyZIDJMGDKZSTBBG-GFCCVEGCSA-N
MW232.29 g/mol
LogP1.31
Rot. Bonds2

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

(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 175667893) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID175667893
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC[C@@]1(O)CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C12H16N4O/c1-2-12(17)4-6-16(7-12)11-9-3-5-13-10(9)14-8-15-11/h3,5,8,17H,2,4,6-7H2,1H3,(H,13,14,15)/t12-/m1/s1
InChIKeyZIDJMGDKZSTBBG-GFCCVEGCSA-N
XLogP1.31
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 175667893) is (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is CC[C@@]1(O)CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is ZIDJMGDKZSTBBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-12(17)4-6-16(7-12)11-9-3-5-13-10(9)14-8-15-11/h3,5,8,17H,2,4,6-7H2,1H3,(H,13,14,15)/t12-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 232.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 175667893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).