1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one

C10H13FN2O4 — CID 58434485

IUPAC1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
SMILESCc1nc(=O)n([C@@H]2OC(C)C(O)C2O)cc1F
InChIInChI=1S/C10H13FN2O4/c1-4-6(11)3-13(10(16)12-4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3/t5?,7?,8?,9-/m1/s1
InChIKeyHWWORIKMMKKFOC-OMEVNDASSA-N
MW244.22 g/mol
LogP-0.67
Rot. Bonds1

About 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one

1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one (PubChem CID 58434485) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
PubChem CID58434485
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one
SMILESCc1nc(=O)n([C@@H]2OC(C)C(O)C2O)cc1F
InChIInChI=1S/C10H13FN2O4/c1-4-6(11)3-13(10(16)12-4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3/t5?,7?,8?,9-/m1/s1
InChIKeyHWWORIKMMKKFOC-OMEVNDASSA-N
XLogP-0.67
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 157197209
5-fluoro-1-[(3R)-3-hydroxy-5-methyloxolan-2-yl]-4-methylpyrimidin-2-one
CID 143394756
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
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylidenepyrimidin-2-one;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one;methyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 159785095
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
CID 57296527
2-[2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]acetyl]oxyacetic acid
CID 58492799
1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-(2-methylpentylamino)pyrimidin-2-one
CID 57073808
3-[(2R,3S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-6-fluoro-8H-pteridine-2,7-dione
CID 118005370
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3-methylbenzamide
CID 54177062
1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71315472
[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]-pentylcarbamic acid
CID 57381858

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The IUPAC name of 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one (CID 58434485) is 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one is Cc1nc(=O)n([C@@H]2OC(C)C(O)C2O)cc1F.
What is the InChIKey of 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
The InChIKey is HWWORIKMMKKFOC-OMEVNDASSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-4-6(11)3-13(10(16)12-4)9-8(15)7(14)5(2)17-9/h3,5,7-9,14-15H,1-2H3/t5?,7?,8?,9-/m1/s1.
What are the key properties of 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one?
1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one has a molecular weight of 244.22 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-4-methylpyrimidin-2-one is sourced from PubChem (CID 58434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).