2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol

C13H21FN4O5 — CID 164882319

IUPAC2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol
SMILESCO.CO.Nc1nc2c(c(F)cn2C2CCC(CO)O2)c(=O)[nH]1
InChIInChI=1S/C11H13FN4O3.2CH4O/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9;2*1-2/h3,5,7,17H,1-2,4H2,(H3,13,14,15,18);2*2H,1H3
InChIKeyVGOFHLIFPWMTTC-UHFFFAOYSA-N
MW332.33 g/mol
LogP-0.67
Rot. Bonds2

About 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol

2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol (PubChem CID 164882319) has the molecular formula C13H21FN4O5 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol.

Molecular Properties

Compound Name2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol
PubChem CID164882319
Molecular FormulaC13H21FN4O5
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol
SMILESCO.CO.Nc1nc2c(c(F)cn2C2CCC(CO)O2)c(=O)[nH]1
InChIInChI=1S/C11H13FN4O3.2CH4O/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9;2*1-2/h3,5,7,17H,1-2,4H2,(H3,13,14,15,18);2*2H,1H3
InChIKeyVGOFHLIFPWMTTC-UHFFFAOYSA-N
XLogP-0.67
TPSA146.62 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol?
The IUPAC name of 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol (CID 164882319) is 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol.
What is the SMILES notation for 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol?
The canonical SMILES for 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol is CO.CO.Nc1nc2c(c(F)cn2C2CCC(CO)O2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol?
The InChIKey is VGOFHLIFPWMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3.2CH4O/c12-6-3-16(7-2-1-5(4-17)19-7)9-8(6)10(18)15-11(13)14-9;2*1-2/h3,5,7,17H,1-2,4H2,(H3,13,14,15,18);2*2H,1H3.
What are the key properties of 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol?
2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol has a molecular weight of 332.33 g/mol, XLogP of -0.67, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol is sourced from PubChem (CID 164882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).