N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide

C14H20FN3O5 — CID 57296527

IUPACN-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C14H20FN3O5/c1-4-6(2)12(21)16-11-8(15)5-18(14(22)17-11)13-10(20)9(19)7(3)23-13/h5-7,9-10,13,19-20H,4H2,1-3H3,(H,16,17,21,22)/t6?,7-,9?,10?,13-/m1/s1
InChIKeyWTQCKYODSXZUPY-XIQGYNPBSA-N
MW329.33 g/mol
LogP0.01
Rot. Bonds4

About N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide

N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide (PubChem CID 57296527) has the molecular formula C14H20FN3O5 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
PubChem CID57296527
Molecular FormulaC14H20FN3O5
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC NameN-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F
InChIInChI=1S/C14H20FN3O5/c1-4-6(2)12(21)16-11-8(15)5-18(14(22)17-11)13-10(20)9(19)7(3)23-13/h5-7,9-10,13,19-20H,4H2,1-3H3,(H,16,17,21,22)/t6?,7-,9?,10?,13-/m1/s1
InChIKeyWTQCKYODSXZUPY-XIQGYNPBSA-N
XLogP0.01
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide?
The IUPAC name of N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide (CID 57296527) is N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)C(O)C2O)cc1F.
What is the InChIKey of N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide?
The InChIKey is WTQCKYODSXZUPY-XIQGYNPBSA-N. The full InChI is InChI=1S/C14H20FN3O5/c1-4-6(2)12(21)16-11-8(15)5-18(14(22)17-11)13-10(20)9(19)7(3)23-13/h5-7,9-10,13,19-20H,4H2,1-3H3,(H,16,17,21,22)/t6?,7-,9?,10?,13-/m1/s1.
What are the key properties of N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide?
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide has a molecular weight of 329.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 57296527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).