propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

C8H10FN3O3 — CID 58138312

IUPACpropan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCC(C)OC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-4(2)15-8(14)12-3-5(9)6(10)11-7(12)13/h3-4H,1-2H3,(H2,10,11,13)
InChIKeySDZJHBIIUPTACS-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.36
Rot. Bonds1

About propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate

propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138312) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138312
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Namepropan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCC(C)OC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H10FN3O3/c1-4(2)15-8(14)12-3-5(9)6(10)11-7(12)13/h3-4H,1-2H3,(H2,10,11,13)
InChIKeySDZJHBIIUPTACS-UHFFFAOYSA-N
XLogP0.36
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138309
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
2-Methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138320
3-Chloropropyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138323
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
Cyclopentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138327
Prop-2-enyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138328
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
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
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138312) is propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is CC(C)OC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is SDZJHBIIUPTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-4(2)15-8(14)12-3-5(9)6(10)11-7(12)13/h3-4H,1-2H3,(H2,10,11,13).
What are the key properties of propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 215.18 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).