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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Related Compounds

5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137299823
methyl 3-[[2-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]amino]propanoate
CID 135497276
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126561931
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[(2S,5R)-5-(2-amino-4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
CID 88578748
4-N-[3-[2-amino-7-[5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-1-N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]benzene-1,4-dicarboxamide
CID 166130822
2-amino-7-[(2R,5S)-3-chloro-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-3-prop-1-ynyloxolan-2-yl]-5-fluoro-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 153188864
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071

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).