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

C6H6FN3O3 — CID 58138309

IUPACmethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O3/c1-13-6(12)10-2-3(7)4(8)9-5(10)11/h2H,1H3,(H2,8,9,11)
InChIKeyHXPBIQRTRIPXAT-UHFFFAOYSA-N
MW187.13 g/mol
LogP-0.42
Rot. Bonds

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

methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (PubChem CID 58138309) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
PubChem CID58138309
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC Namemethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
SMILESCOC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C6H6FN3O3/c1-13-6(12)10-2-3(7)4(8)9-5(10)11/h2H,1H3,(H2,8,9,11)
InChIKeyHXPBIQRTRIPXAT-UHFFFAOYSA-N
XLogP-0.42
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-fluoro-1-methylpyrimidin-2(1H)-one
CID 255391
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
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
Prop-2-ynyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 88082361
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxylic acid
CID 123217178
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017
4-Amino-5-fluoro-2-oxopyrimidine-1-carboxamide
CID 174607105

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate (CID 58138309) is methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is COC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
The InChIKey is HXPBIQRTRIPXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c1-13-6(12)10-2-3(7)4(8)9-5(10)11/h2H,1H3,(H2,8,9,11).
What are the key properties of methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate?
methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate has a molecular weight of 187.13 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate is sourced from PubChem (CID 58138309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).