4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid

C15H17N3O2 — CID 83181871

IUPAC4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(Nc2ncc(C(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C15H17N3O2/c1-8-5-9(2)13(10(3)6-8)18-15-16-7-12(14(19)20)11(4)17-15/h5-7H,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyNGHROCSLXOEIHS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid

4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid (PubChem CID 83181871) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid
PubChem CID83181871
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid
SMILESCc1cc(C)c(Nc2ncc(C(=O)O)c(C)n2)c(C)c1
InChIInChI=1S/C15H17N3O2/c1-8-5-9(2)13(10(3)6-8)18-15-16-7-12(14(19)20)11(4)17-15/h5-7H,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyNGHROCSLXOEIHS-UHFFFAOYSA-N
XLogP3.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid (CID 83181871) is 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid is Cc1cc(C)c(Nc2ncc(C(=O)O)c(C)n2)c(C)c1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid?
The InChIKey is NGHROCSLXOEIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-5-9(2)13(10(3)6-8)18-15-16-7-12(14(19)20)11(4)17-15/h5-7H,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid?
4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).