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

C10H12FN3O3 — CID 58138327

IUPACcyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESNc1nc(=O)n(C(=O)OC2CCCC2)cc1F
InChIInChI=1S/C10H12FN3O3/c11-7-5-14(9(15)13-8(7)12)10(16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,15)
InChIKeyCZIQILGLBJTHSF-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.89
Rot. Bonds1

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

cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138327) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138327
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Namecyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESNc1nc(=O)n(C(=O)OC2CCCC2)cc1F
InChIInChI=1S/C10H12FN3O3/c11-7-5-14(9(15)13-8(7)12)10(16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,15)
InChIKeyCZIQILGLBJTHSF-UHFFFAOYSA-N
XLogP0.89
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
Cyclopentyl 4-(dimethylaminomethylideneamino)-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138325
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
Hexyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 69975716
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboperoxoate
CID 175013893

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138327) is cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is Nc1nc(=O)n(C(=O)OC2CCCC2)cc1F.
What is the InChIKey of cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is CZIQILGLBJTHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-7-5-14(9(15)13-8(7)12)10(16)17-6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,15).
What are the key properties of cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 241.22 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).