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

C15H19FN6O2 — CID 56754901

IUPAC2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19FN6O2/c16-12-8-17-15(19-14(12)20-2-5-24-6-3-20)21-9-11-7-18-22(1-4-23)13(11)10-21/h7-8,23H,1-6,9-10H2
InChIKeyYRWPFQHTAVADHP-UHFFFAOYSA-N
MW334.36 g/mol
LogP0.16
Rot. Bonds4

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

2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56754901) has the molecular formula C15H19FN6O2 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56754901
Molecular FormulaC15H19FN6O2
Molecular Weight334.36 g/mol
Exact Mass334.16
IUPAC Name2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESOCCn1ncc2c1CN(c1ncc(F)c(N3CCOCC3)n1)C2
InChIInChI=1S/C15H19FN6O2/c16-12-8-17-15(19-14(12)20-2-5-24-6-3-20)21-9-11-7-18-22(1-4-23)13(11)10-21/h7-8,23H,1-6,9-10H2
InChIKeyYRWPFQHTAVADHP-UHFFFAOYSA-N
XLogP0.16
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56754901) is 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is OCCn1ncc2c1CN(c1ncc(F)c(N3CCOCC3)n1)C2.
What is the InChIKey of 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is YRWPFQHTAVADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c16-12-8-17-15(19-14(12)20-2-5-24-6-3-20)21-9-11-7-18-22(1-4-23)13(11)10-21/h7-8,23H,1-6,9-10H2.
What are the key properties of 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 334.36 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56754901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).