6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid

C10H6Cl2FN3O2S — CID 66954420

IUPAC6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1c(F)sc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1Cl
InChIInChI=1S/C10H6Cl2FN3O2S/c1-2-3(11)6(19-7(2)13)9-15-5(10(17)18)4(12)8(14)16-9/h1H3,(H,17,18)(H2,14,15,16)
InChIKeyLVZPYRNDIOTIFS-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.24
Rot. Bonds2

About 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid

6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 66954420) has the molecular formula C10H6Cl2FN3O2S and a molecular weight of 322.15 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
PubChem CID66954420
Molecular FormulaC10H6Cl2FN3O2S
Molecular Weight322.15 g/mol
Exact Mass320.95
IUPAC Name6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid
SMILESCc1c(F)sc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1Cl
InChIInChI=1S/C10H6Cl2FN3O2S/c1-2-3(11)6(19-7(2)13)9-15-5(10(17)18)4(12)8(14)16-9/h1H3,(H,17,18)(H2,14,15,16)
InChIKeyLVZPYRNDIOTIFS-UHFFFAOYSA-N
XLogP3.24
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid (CID 66954420) is 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid is Cc1c(F)sc(-c2nc(N)c(Cl)c(C(=O)O)n2)c1Cl.
What is the InChIKey of 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is LVZPYRNDIOTIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O2S/c1-2-3(11)6(19-7(2)13)9-15-5(10(17)18)4(12)8(14)16-9/h1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid?
6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid has a molecular weight of 322.15 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 66954420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).