4,6-dichloro-2-methylpyrimidine-5-carboxylic acid

C6H4Cl2N2O2 — CID 58265017

IUPAC4,6-dichloro-2-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C6H4Cl2N2O2/c1-2-9-4(7)3(6(11)12)5(8)10-2/h1H3,(H,11,12)
InChIKeySVNMTZASTXZWCQ-UHFFFAOYSA-N
MW207.02 g/mol
LogP1.79
Rot. Bonds1

About 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid

4,6-dichloro-2-methylpyrimidine-5-carboxylic acid (PubChem CID 58265017) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-methylpyrimidine-5-carboxylic acid
PubChem CID58265017
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC Name4,6-dichloro-2-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C6H4Cl2N2O2/c1-2-9-4(7)3(6(11)12)5(8)10-2/h1H3,(H,11,12)
InChIKeySVNMTZASTXZWCQ-UHFFFAOYSA-N
XLogP1.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid (CID 58265017) is 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid is Cc1nc(Cl)c(C(=O)O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is SVNMTZASTXZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c1-2-9-4(7)3(6(11)12)5(8)10-2/h1H3,(H,11,12).
What are the key properties of 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid?
4,6-dichloro-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 207.02 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 58265017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).