5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid

C16H19N3O2 — CID 63539307

IUPAC5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ccc(Nc2cnc(C(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-9(2)15-17-8-13(14(19-15)16(20)21)18-12-6-5-10(3)7-11(12)4/h5-9,18H,1-4H3,(H,20,21)
InChIKeyQJXLLBHUJVXPQH-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.66
Rot. Bonds4

About 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 63539307) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID63539307
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ccc(Nc2cnc(C(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-9(2)15-17-8-13(14(19-15)16(20)21)18-12-6-5-10(3)7-11(12)4/h5-9,18H,1-4H3,(H,20,21)
InChIKeyQJXLLBHUJVXPQH-UHFFFAOYSA-N
XLogP3.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62085766
5-(3-bromoanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537974
4-(2,4-dimethylanilino)-3-methylbenzoic acid
CID 55225092
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107413670
5-(2-acetamidoethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086858
5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086335
4-N-(2,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955466
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
2-propan-2-yl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-4-carboxylic acid
CID 63825023
5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114546945
4-(2,4-dimethylanilino)pyridine-2-carboxylic acid
CID 43326120

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 63539307) is 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid is Cc1ccc(Nc2cnc(C(C)C)nc2C(=O)O)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is QJXLLBHUJVXPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(2)15-17-8-13(14(19-15)16(20)21)18-12-6-5-10(3)7-11(12)4/h5-9,18H,1-4H3,(H,20,21).
What are the key properties of 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 63539307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).