pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate

C11H16FN3O3 — CID 118391654

IUPACpentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C)cc1F
InChIInChI=1S/C11H16FN3O3/c1-3-4-5-6-18-11(17)14-9-8(12)7-15(2)10(16)13-9/h7H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyQMCKVMNCZSGBGP-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.66
Rot. Bonds5

About pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate

pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate (PubChem CID 118391654) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate.

Molecular Properties

Compound Namepentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
PubChem CID118391654
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Namepentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCCCCCOC(=O)Nc1nc(=O)n(C)cc1F
InChIInChI=1S/C11H16FN3O3/c1-3-4-5-6-18-11(17)14-9-8(12)7-15(2)10(16)13-9/h7H,3-6H2,1-2H3,(H,13,14,16,17)
InChIKeyQMCKVMNCZSGBGP-UHFFFAOYSA-N
XLogP1.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pentyl 4-(dimethylaminomethylideneamino)-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138304
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
ethyl N-[5-fluoro-1-(methylsulfanylmethyl)-2-oxopyrimidin-4-yl]carbamate
CID 58166427
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)-N-methylcarbamate
CID 58166477
Hexyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 69975716
pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 141087623
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
butyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440976
propyl N-[5-fluoro-1-[(1S)-1-(2-methylbutoxy)propyl]-2-oxopyrimidin-4-yl]carbamate
CID 142440987
hexyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 142440997
4-(1-Ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one
CID 142441010

Frequently Asked Questions

What is the IUPAC name of pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The IUPAC name of pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate (CID 118391654) is pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate.
What is the SMILES notation for pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The canonical SMILES for pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate is CCCCCOC(=O)Nc1nc(=O)n(C)cc1F.
What is the InChIKey of pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
The InChIKey is QMCKVMNCZSGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-3-4-5-6-18-11(17)14-9-8(12)7-15(2)10(16)13-9/h7H,3-6H2,1-2H3,(H,13,14,16,17).
What are the key properties of pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate?
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate has a molecular weight of 257.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate is sourced from PubChem (CID 118391654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).