4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid

C7H7Cl2N3O2 — CID 86237736

IUPAC4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCN(C)c1nc(Cl)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C7H7Cl2N3O2/c1-12(2)7-10-4(8)3(6(13)14)5(9)11-7/h1-2H3,(H,13,14)
InChIKeyDOCKBNCUYFXJRI-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.55
Rot. Bonds2

About 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid

4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid (PubChem CID 86237736) has the molecular formula C7H7Cl2N3O2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid
PubChem CID86237736
Molecular FormulaC7H7Cl2N3O2
Molecular Weight236.06 g/mol
Exact Mass234.99
IUPAC Name4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCN(C)c1nc(Cl)c(C(=O)O)c(Cl)n1
InChIInChI=1S/C7H7Cl2N3O2/c1-12(2)7-10-4(8)3(6(13)14)5(9)11-7/h1-2H3,(H,13,14)
InChIKeyDOCKBNCUYFXJRI-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid (CID 86237736) is 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid is CN(C)c1nc(Cl)c(C(=O)O)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is DOCKBNCUYFXJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O2/c1-12(2)7-10-4(8)3(6(13)14)5(9)11-7/h1-2H3,(H,13,14).
What are the key properties of 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid?
4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 236.06 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(dimethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 86237736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).