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

C10H14FN3O3 — CID 141087623

IUPACpentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate
SMILESCCCCCOC(=O)Nc1ccn(F)c(=O)n1
InChIInChI=1S/C10H14FN3O3/c1-2-3-4-7-17-10(16)13-8-5-6-14(11)9(15)12-8/h5-6H,2-4,7H2,1H3,(H,12,13,15,16)
InChIKeyZMAVVVFTXDHEHO-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.71
Rot. Bonds5

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

pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate (PubChem CID 141087623) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate.

Molecular Properties

Compound Namepentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate
PubChem CID141087623
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Namepentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate
SMILESCCCCCOC(=O)Nc1ccn(F)c(=O)n1
InChIInChI=1S/C10H14FN3O3/c1-2-3-4-7-17-10(16)13-8-5-6-14(11)9(15)12-8/h5-6H,2-4,7H2,1H3,(H,12,13,15,16)
InChIKeyZMAVVVFTXDHEHO-UHFFFAOYSA-N
XLogP1.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.71
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 N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654
pentyl N-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)carbamate
CID 170597258
Pentyl 4-amino-2-oxopyrimidine-1-carboxylate
CID 142683522

Frequently Asked Questions

What is the IUPAC name of pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate?
The IUPAC name of pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate (CID 141087623) is pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate.
What is the SMILES notation for pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate?
The canonical SMILES for pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate is CCCCCOC(=O)Nc1ccn(F)c(=O)n1.
What is the InChIKey of pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate?
The InChIKey is ZMAVVVFTXDHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-2-3-4-7-17-10(16)13-8-5-6-14(11)9(15)12-8/h5-6H,2-4,7H2,1H3,(H,12,13,15,16).
What are the key properties of pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate?
pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate has a molecular weight of 243.24 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-(1-fluoro-2-oxopyrimidin-4-yl)carbamate is sourced from PubChem (CID 141087623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).