1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione

C12H19FN2O5 — CID 126692786

IUPAC1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
SMILESCOC(CO)C(O)[C@](C)(F)[C@@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19FN2O5/c1-7(15-5-4-9(17)14-11(15)19)12(2,13)10(18)8(6-16)20-3/h4-5,7-8,10,16,18H,6H2,1-3H3,(H,14,17,19)/t7-,8?,10?,12-/m1/s1
InChIKeyXPOGBPABGFCATI-NXTFMTLWSA-N
MW290.29 g/mol
LogP-0.81
Rot. Bonds6

About 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione (PubChem CID 126692786) has the molecular formula C12H19FN2O5 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
PubChem CID126692786
Molecular FormulaC12H19FN2O5
Molecular Weight290.29 g/mol
Exact Mass290.13
IUPAC Name1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione
SMILESCOC(CO)C(O)[C@](C)(F)[C@@H](C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19FN2O5/c1-7(15-5-4-9(17)14-11(15)19)12(2,13)10(18)8(6-16)20-3/h4-5,7-8,10,16,18H,6H2,1-3H3,(H,14,17,19)/t7-,8?,10?,12-/m1/s1
InChIKeyXPOGBPABGFCATI-NXTFMTLWSA-N
XLogP-0.81
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,3R,4R)-2,3,5-trihydroxy-4-methoxypentan-2-yl]pyrimidine-2,4-dione
CID 70640618
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
(2S)-2-[(2R,3S)-1,3-dihydroxybutan-2-yl]oxy-2-(2,4-dioxopyrimidin-1-yl)propanenitrile
CID 70914999
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 6991759
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
CID 66841272
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione (CID 126692786) is 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione is COC(CO)C(O)[C@](C)(F)[C@@H](C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XPOGBPABGFCATI-NXTFMTLWSA-N. The full InChI is InChI=1S/C12H19FN2O5/c1-7(15-5-4-9(17)14-11(15)19)12(2,13)10(18)8(6-16)20-3/h4-5,7-8,10,16,18H,6H2,1-3H3,(H,14,17,19)/t7-,8?,10?,12-/m1/s1.
What are the key properties of 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione has a molecular weight of 290.29 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-3-fluoro-4,6-dihydroxy-5-methoxy-3-methylhexan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 126692786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).