ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate

C8H9FN2O2 — CID 145293421

IUPACethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(C)c1F
InChIInChI=1S/C8H9FN2O2/c1-3-13-8(12)7-6(9)5(2)10-4-11-7/h4H,3H2,1-2H3
InChIKeyVUZROIJKMFARJR-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.10
Rot. Bonds2

About ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate

ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate (PubChem CID 145293421) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
PubChem CID145293421
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Nameethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(C)c1F
InChIInChI=1S/C8H9FN2O2/c1-3-13-8(12)7-6(9)5(2)10-4-11-7/h4H,3H2,1-2H3
InChIKeyVUZROIJKMFARJR-UHFFFAOYSA-N
XLogP1.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-chloro-5-fluoropyrimidine-4-carboxylate
CID 117902240
Methyl 6-amino-5-fluoropyrimidine-4-carboxylate
CID 130058484
Methyl 5-fluoropyrimidine-4-carboxylate
CID 130850525
Ethyl 6-(aminomethyl)pyrimidine-4-carboxylate hydrochloride
CID 165869992
Dimethyl pyrimidine-4,6-dicarboxylate
CID 239362
Ethyl 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylate
CID 10848578
Butyl 6-amino-5-fluoropyrimidine-4-carboxylate
CID 57569308
5-Fluoro-6-(methoxycarbonyl)pyrimidine-4-carboxylic acid
CID 59461131
Methyl 6-acetyl-5-fluoropyrimidine-4-carboxylate
CID 59802527
Methyl 5-fluoro-6-methylpyrimidine-4-carboxylate
CID 59802530
Ethyl 2,5,6-trifluoropyrimidine-4-carboxylate
CID 66988579
Ethyl 6-methyl-2-(trifluoromethyl)pyrimidine-4-carboxylate
CID 67390769

Frequently Asked Questions

What is the IUPAC name of ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate (CID 145293421) is ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate is CCOC(=O)c1ncnc(C)c1F.
What is the InChIKey of ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
The InChIKey is VUZROIJKMFARJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-3-13-8(12)7-6(9)5(2)10-4-11-7/h4H,3H2,1-2H3.
What are the key properties of ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate?
ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 145293421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).