6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid

C12H9ClFN3O3 — CID 59126914

IUPAC6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O
InChIInChI=1S/C12H9ClFN3O3/c1-20-9-8(12(18)19)16-11(17-10(9)15)5-2-3-6(13)7(14)4-5/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyRMIXLGHJCOLZCP-UHFFFAOYSA-N
MW297.67 g/mol
LogP2.23
Rot. Bonds3

About 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid

6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid (PubChem CID 59126914) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid
PubChem CID59126914
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid
SMILESCOc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O
InChIInChI=1S/C12H9ClFN3O3/c1-20-9-8(12(18)19)16-11(17-10(9)15)5-2-3-6(13)7(14)4-5/h2-4H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyRMIXLGHJCOLZCP-UHFFFAOYSA-N
XLogP2.23
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid (CID 59126914) is 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid is COc1c(N)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)O.
What is the InChIKey of 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid?
The InChIKey is RMIXLGHJCOLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c1-20-9-8(12(18)19)16-11(17-10(9)15)5-2-3-6(13)7(14)4-5/h2-4H,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid?
6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid has a molecular weight of 297.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-chloro-3-fluorophenyl)-5-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 59126914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).