4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid

C8H11N3O2 — CID 62746638

IUPAC4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1nc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C8H11N3O2/c1-4-6(7(12)13)5(2)11-8(9-3)10-4/h1-3H3,(H,12,13)(H,9,10,11)
InChIKeyRBHWPOVKRIUUIY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.83
Rot. Bonds2

About 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid

4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid (PubChem CID 62746638) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
PubChem CID62746638
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1nc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C8H11N3O2/c1-4-6(7(12)13)5(2)11-8(9-3)10-4/h1-3H3,(H,12,13)(H,9,10,11)
InChIKeyRBHWPOVKRIUUIY-UHFFFAOYSA-N
XLogP0.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
4,6-Dimethylpyrimidine-5-carboxylic acid
CID 14922222
Trimethylpyrimidine-5-carboxylic acid
CID 13203797
2-Chloro-4,6-dimethylpyrimidine-5-carboxylic acid
CID 55273562
Trimethylpyrimidine-5-carboxylic acid hydrochloride
CID 155819947
Pyrimidine, 5-carbamoyl-4,6-dimethyl-2-methylamino-
CID 86181001
4,6-Dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 53404083
2-Chloro-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 53406059
4,6-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carboxylic acid
CID 58542553
Ethyl 2-amino-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
CID 83401337
4-Ethyl-2-(trifluoromethyl)-6-(2,3,3-trifluoropropylamino)pyrimidine-5-carboxylic acid
CID 90095959
2-Methoxy-4-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylate
CID 53405111

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid (CID 62746638) is 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid is CNc1nc(C)c(C(=O)O)c(C)n1.
What is the InChIKey of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid?
The InChIKey is RBHWPOVKRIUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(7(12)13)5(2)11-8(9-3)10-4/h1-3H3,(H,12,13)(H,9,10,11).
What are the key properties of 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62746638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).