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

C15H22FN3O4 — CID 70834934

IUPACpentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C15H22FN3O4/c1-3-4-5-8-22-15(21)18-13-11(16)9-19(14(20)17-13)12-7-6-10(2)23-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,20,21)
InChIKeyGMDVMBLZLYPYDH-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.82
Rot. Bonds6

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

pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (PubChem CID 70834934) has the molecular formula C15H22FN3O4 and a molecular weight of 327.36 g/mol. Its IUPAC name is pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namepentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
PubChem CID70834934
Molecular FormulaC15H22FN3O4
Molecular Weight327.36 g/mol
Exact Mass327.16
IUPAC Namepentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F
InChIInChI=1S/C15H22FN3O4/c1-3-4-5-8-22-15(21)18-13-11(16)9-19(14(20)17-13)12-7-6-10(2)23-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,20,21)
InChIKeyGMDVMBLZLYPYDH-UHFFFAOYSA-N
XLogP2.82
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.82
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

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1-(5-Deoxypentofuranosyl)-5-fluoro-4-(((pentyloxy)carbonyl)amino)pyrimidin-2(1H)-one
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pentyl N-[1-[(3S,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
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2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine
CID 46243729
pentyl N-[1-[(2R,4R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 57339153
pentyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate
CID 57033855
N-4-Pentoxycarbonyl-5'-deoxy-5-fluorocytidin
CID 69347497
C19H26FN3O8
CID 73425552

Frequently Asked Questions

What is the IUPAC name of pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The IUPAC name of pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate (CID 70834934) is pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate.
What is the SMILES notation for pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The canonical SMILES for pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is CCCCCOC(=O)Nc1nc(=O)n(C2CCC(C)O2)cc1F.
What is the InChIKey of pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
The InChIKey is GMDVMBLZLYPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O4/c1-3-4-5-8-22-15(21)18-13-11(16)9-19(14(20)17-13)12-7-6-10(2)23-12/h9-10,12H,3-8H2,1-2H3,(H,17,18,20,21).
What are the key properties of pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate?
pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate has a molecular weight of 327.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[5-fluoro-1-(5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]carbamate is sourced from PubChem (CID 70834934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).