2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C13H17N5O — CID 56723204

IUPAC2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCc1cnc(N2Cc3cnn(CCO)c3C2)nc1
InChIInChI=1S/C13H17N5O/c1-2-10-5-14-13(15-6-10)17-8-11-7-16-18(3-4-19)12(11)9-17/h5-7,19H,2-4,8-9H2,1H3
InChIKeyOLXZWDXLWDQWJR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.75
Rot. Bonds4

About 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56723204) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56723204
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCCc1cnc(N2Cc3cnn(CCO)c3C2)nc1
InChIInChI=1S/C13H17N5O/c1-2-10-5-14-13(15-6-10)17-8-11-7-16-18(3-4-19)12(11)9-17/h5-7,19H,2-4,8-9H2,1H3
InChIKeyOLXZWDXLWDQWJR-UHFFFAOYSA-N
XLogP0.75
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56723204) is 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CCc1cnc(N2Cc3cnn(CCO)c3C2)nc1.
What is the InChIKey of 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is OLXZWDXLWDQWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-10-5-14-13(15-6-10)17-8-11-7-16-18(3-4-19)12(11)9-17/h5-7,19H,2-4,8-9H2,1H3.
What are the key properties of 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-ethylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56723204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).