2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid

C7H7ClN2O2 — CID 55273562

IUPAC2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)nc(C)c1C(=O)O
InChIInChI=1S/C7H7ClN2O2/c1-3-5(6(11)12)4(2)10-7(8)9-3/h1-2H3,(H,11,12)
InChIKeyDQQRWBWQSGWKNX-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid

2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 55273562) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID55273562
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(Cl)nc(C)c1C(=O)O
InChIInChI=1S/C7H7ClN2O2/c1-3-5(6(11)12)4(2)10-7(8)9-3/h1-2H3,(H,11,12)
InChIKeyDQQRWBWQSGWKNX-UHFFFAOYSA-N
XLogP1.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid (CID 55273562) is 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(Cl)nc(C)c1C(=O)O.
What is the InChIKey of 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is DQQRWBWQSGWKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-3-5(6(11)12)4(2)10-7(8)9-3/h1-2H3,(H,11,12).
What are the key properties of 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid?
2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 186.60 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 55273562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).