1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H12F2N2O6 — CID 126723732

IUPAC1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OC(CO)(CO)[C@@H](O)C2(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F2N2O6/c11-10(12)6(18)9(3-15,4-16)20-7(10)14-2-1-5(17)13-8(14)19/h1-2,6-7,15-16,18H,3-4H2,(H,13,17,19)/t6-,7-/m1/s1
InChIKeyTUGFUPHYTLXJQV-RNFRBKRXSA-N
MW294.21 g/mol
LogP-2.21
Rot. Bonds3

About 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 126723732) has the molecular formula C10H12F2N2O6 and a molecular weight of 294.21 g/mol. Its IUPAC name is 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID126723732
Molecular FormulaC10H12F2N2O6
Molecular Weight294.21 g/mol
Exact Mass294.07
IUPAC Name1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OC(CO)(CO)[C@@H](O)C2(F)F)c(=O)[nH]1
InChIInChI=1S/C10H12F2N2O6/c11-10(12)6(18)9(3-15,4-16)20-7(10)14-2-1-5(17)13-8(14)19/h1-2,6-7,15-16,18H,3-4H2,(H,13,17,19)/t6-,7-/m1/s1
InChIKeyTUGFUPHYTLXJQV-RNFRBKRXSA-N
XLogP-2.21
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S,5S)-5-(difluoromethyl)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118294231
1-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118012832
1-[(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118594350
1-[(2R,3R,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 118019517
1-[(2S,5S)-5-azido-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123452289
1-[(2R,3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 175678014
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 129150342
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
[[2-(chloromethyl)-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-methylphosphinic acid
CID 123669357
1-[(2R,5R)-5-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175627372
4-amino-1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5S)-5-ethyl-3,3-difluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one;1-[(2R,4R)-5,5-diethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 158430392
1-[(2R,5S)-5-(chloromethyl)-3,3-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 162618608

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 126723732) is 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2OC(CO)(CO)[C@@H](O)C2(F)F)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is TUGFUPHYTLXJQV-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H12F2N2O6/c11-10(12)6(18)9(3-15,4-16)20-7(10)14-2-1-5(17)13-8(14)19/h1-2,6-7,15-16,18H,3-4H2,(H,13,17,19)/t6-,7-/m1/s1.
What are the key properties of 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 294.21 g/mol, XLogP of -2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 126723732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).