pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate

C16H24FN3O4 — CID 90925582

IUPACpentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C2CC(C)C(C)O2)cc1F
InChIInChI=1S/C16H24FN3O4/c1-4-5-6-7-23-16(22)19-14-12(17)9-20(15(21)18-14)13-8-10(2)11(3)24-13/h9-11,13H,4-8H2,1-3H3,(H,18,19,21,22)
InChIKeySXLXHRKEXFCXII-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.06
Rot. Bonds6

About pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate

pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (PubChem CID 90925582) has the molecular formula C16H24FN3O4 and a molecular weight of 341.38 g/mol. Its IUPAC name is pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
PubChem CID90925582
Molecular FormulaC16H24FN3O4
Molecular Weight341.38 g/mol
Exact Mass341.18
IUPAC Namepentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C2CC(C)C(C)O2)cc1F
InChIInChI=1S/C16H24FN3O4/c1-4-5-6-7-23-16(22)19-14-12(17)9-20(15(21)18-14)13-8-10(2)11(3)24-13/h9-11,13H,4-8H2,1-3H3,(H,18,19,21,22)
InChIKeySXLXHRKEXFCXII-UHFFFAOYSA-N
XLogP3.06
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5'-Deoxy-5-fluoro-N4-(3-methyl-1-butyloxycarbonyl)cytidine
CID 54201881
5'-Deoxy-5-fluoro-N4-(2-methyl-1-butyloxycarbonyl)cytidine
CID 57355711
5'-Deoxy-N-[(2-ethylbutoxy)carbonyl]-5-fluorocytidine
CID 53849117
2,4-dimethylpentan-3-yl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 53904184
2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-N-[(3-methylbutoxy)carbonyl]cytidine
CID 54018598
2-ethylbutyl N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 54221309
[(2R,3R,4R,5R)-4-acetyloxy-5-[4-(2-ethylbutoxycarbonylamino)-5-fluoro-2-oxopyrimidin-1-yl]-2-methyloxolan-3-yl] acetate
CID 54271655
3-methylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57004325
[(2R,5R)-4-acetyloxy-5-[5-fluoro-4-(3-methylbutoxycarbonylamino)-2-oxopyrimidin-1-yl]-2-methyloxolan-3-yl] acetate
CID 57048866
2-ethylbutyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57125240
2,4-dimethylpentan-3-yl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57193738
4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 57827111

Frequently Asked Questions

What is the IUPAC name of pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate (CID 90925582) is pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is CCCCCOC(=O)Nc1nc(=O)n(C2CC(C)C(C)O2)cc1F.
What is the InChIKey of pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is SXLXHRKEXFCXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4/c1-4-5-6-7-23-16(22)19-14-12(17)9-20(15(21)18-14)13-8-10(2)11(3)24-13/h9-11,13H,4-8H2,1-3H3,(H,18,19,21,22).
What are the key properties of pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate?
pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 341.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[1-(4,5-dimethyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 90925582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).