ethyl 2-amino-5-fluoropyrimidine-4-carboxylate

C7H8FN3O2 — CID 130019307

IUPACethyl 2-amino-5-fluoropyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)ncc1F
InChIInChI=1S/C7H8FN3O2/c1-2-13-6(12)5-4(8)3-10-7(9)11-5/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyWEZMNDIVPBCEKH-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.37
Rot. Bonds2

About ethyl 2-amino-5-fluoropyrimidine-4-carboxylate

ethyl 2-amino-5-fluoropyrimidine-4-carboxylate (PubChem CID 130019307) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is ethyl 2-amino-5-fluoropyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-fluoropyrimidine-4-carboxylate
PubChem CID130019307
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Nameethyl 2-amino-5-fluoropyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)ncc1F
InChIInChI=1S/C7H8FN3O2/c1-2-13-6(12)5-4(8)3-10-7(9)11-5/h3H,2H2,1H3,(H2,9,10,11)
InChIKeyWEZMNDIVPBCEKH-UHFFFAOYSA-N
XLogP0.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 5-fluoro-1H-imidazole-4-carboxylate
CID 158522577
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
CID 114235242
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 3-[2-(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)ethyl]-6,7-difluoroquinoxaline-2-carboxylate
CID 171981740
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-fluoropyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-fluoropyrimidine-4-carboxylate (CID 130019307) is ethyl 2-amino-5-fluoropyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-fluoropyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-fluoropyrimidine-4-carboxylate is CCOC(=O)c1nc(N)ncc1F.
What is the InChIKey of ethyl 2-amino-5-fluoropyrimidine-4-carboxylate?
The InChIKey is WEZMNDIVPBCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-2-13-6(12)5-4(8)3-10-7(9)11-5/h3H,2H2,1H3,(H2,9,10,11).
What are the key properties of ethyl 2-amino-5-fluoropyrimidine-4-carboxylate?
ethyl 2-amino-5-fluoropyrimidine-4-carboxylate has a molecular weight of 185.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-fluoropyrimidine-4-carboxylate is sourced from PubChem (CID 130019307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).