pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

C10H14FN3O3 — CID 58138326

IUPACpentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCCCCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O3/c1-2-3-4-5-17-10(16)14-6-7(11)8(12)13-9(14)15/h6H,2-5H2,1H3,(H2,12,13,15)
InChIKeyWHLGAWVNUAPLCP-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.14
Rot. Bonds4

About pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138326) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namepentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138326
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Namepentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCCCCCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O3/c1-2-3-4-5-17-10(16)14-6-7(11)8(12)13-9(14)15/h6H,2-5H2,1H3,(H2,12,13,15)
InChIKeyWHLGAWVNUAPLCP-UHFFFAOYSA-N
XLogP1.14
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pentyl 4-(dimethylaminomethylideneamino)-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138304
Methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138309
isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
2-Methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138320
Cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138327
(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)methyl butanoate
CID 58166399
Hexyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 69975716
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
Prop-2-ynyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 88082361
pentyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 118391654
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017

Frequently Asked Questions

What is the IUPAC name of pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138326) is pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is CCCCCOC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is WHLGAWVNUAPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-2-3-4-5-17-10(16)14-6-7(11)8(12)13-9(14)15/h6H,2-5H2,1H3,(H2,12,13,15).
What are the key properties of pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 243.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).