3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione

C11H11FN4O5 — CID 118005370

IUPAC3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
SMILESC[C@H]1O[C@@H](n2cc3nc(F)c(=O)[nH]c3nc2=O)[C@@H](O)C1O
InChIInChI=1S/C11H11FN4O5/c1-3-5(17)6(18)10(21-3)16-2-4-8(15-11(16)20)14-9(19)7(12)13-4/h2-3,5-6,10,17-18H,1H3,(H,14,15,19,20)/t3-,5?,6+,10-/m1/s1
InChIKeyPBJYHASOMYZULN-GHEIYIAFSA-N
MW298.23 g/mol
LogP-1.74
Rot. Bonds1

About 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione

3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione (PubChem CID 118005370) has the molecular formula C11H11FN4O5 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
PubChem CID118005370
Molecular FormulaC11H11FN4O5
Molecular Weight298.23 g/mol
Exact Mass298.07
IUPAC Name3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
SMILESC[C@H]1O[C@@H](n2cc3nc(F)c(=O)[nH]c3nc2=O)[C@@H](O)C1O
InChIInChI=1S/C11H11FN4O5/c1-3-5(17)6(18)10(21-3)16-2-4-8(15-11(16)20)14-9(19)7(12)13-4/h2-3,5-6,10,17-18H,1H3,(H,14,15,19,20)/t3-,5?,6+,10-/m1/s1
InChIKeyPBJYHASOMYZULN-GHEIYIAFSA-N
XLogP-1.74
TPSA130.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 144823536
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-2-sulfanylidene-8H-pteridin-7-one
CID 123186090
1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
CID 58434485
3-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-8H-pteridine-2,7-dione
CID 122543363
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]acetamide;ethane;propane
CID 144702976
6-fluoro-3-methyl-8H-pteridine-2,7-dione
CID 118005417
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
CID 57296527
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione;methane
CID 159058169
1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
CID 57073808

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione?
The IUPAC name of 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione (CID 118005370) is 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione.
What is the SMILES notation for 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione?
The canonical SMILES for 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione is C[C@H]1O[C@@H](n2cc3nc(F)c(=O)[nH]c3nc2=O)[C@@H](O)C1O.
What is the InChIKey of 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione?
The InChIKey is PBJYHASOMYZULN-GHEIYIAFSA-N. The full InChI is InChI=1S/C11H11FN4O5/c1-3-5(17)6(18)10(21-3)16-2-4-8(15-11(16)20)14-9(19)7(12)13-4/h2-3,5-6,10,17-18H,1H3,(H,14,15,19,20)/t3-,5?,6+,10-/m1/s1.
What are the key properties of 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione?
3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione has a molecular weight of 298.23 g/mol, XLogP of -1.74, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione is sourced from PubChem (CID 118005370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).