2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid

C13H13N3O2 — CID 82293663

IUPAC2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)nc(C)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-8-3-5-10(6-4-8)16-12-7-11(13(17)18)14-9(2)15-12/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyYTGIAMHIGNUZLU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid

2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid (PubChem CID 82293663) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
PubChem CID82293663
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)nc(C)n2)cc1
InChIInChI=1S/C13H13N3O2/c1-8-3-5-10(6-4-8)16-12-7-11(13(17)18)14-9(2)15-12/h3-7H,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyYTGIAMHIGNUZLU-UHFFFAOYSA-N
XLogP2.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109372642
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
2-methyl-6-(4-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112848375
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109369078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid (CID 82293663) is 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid is Cc1ccc(Nc2cc(C(=O)O)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid?
The InChIKey is YTGIAMHIGNUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-3-5-10(6-4-8)16-12-7-11(13(17)18)14-9(2)15-12/h3-7H,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid?
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82293663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).