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

C15H22FN3O6 — CID 71435392

IUPAC3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)CCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F
InChIInChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)
InChIKeyPPVCPOIDSSQXMR-UHFFFAOYSA-N
MW359.35 g/mol
LogP0.62
Rot. Bonds5

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

3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 71435392) has the molecular formula C15H22FN3O6 and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Name3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID71435392
Molecular FormulaC15H22FN3O6
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCC(C)CCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F
InChIInChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23)
InChIKeyPPVCPOIDSSQXMR-UHFFFAOYSA-N
XLogP0.62
TPSA122.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 71435392) is 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CC(C)CCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F.
What is the InChIKey of 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is PPVCPOIDSSQXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O6/c1-7(2)4-5-24-15(23)18-12-9(16)6-19(14(22)17-12)13-11(21)10(20)8(3)25-13/h6-8,10-11,13,20-21H,4-5H2,1-3H3,(H,17,18,22,23).
What are the key properties of 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 359.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 71435392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).