5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C13H19N3O2 — CID 62087944

IUPAC5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NC2CC2(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-7(2)11-14-6-8(10(16-11)12(17)18)15-9-5-13(9,3)4/h6-7,9,15H,5H2,1-4H3,(H,17,18)
InChIKeyGNEAVUQLRHOLOG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.51
Rot. Bonds4

About 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62087944) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62087944
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(NC2CC2(C)C)c(C(=O)O)n1
InChIInChI=1S/C13H19N3O2/c1-7(2)11-14-6-8(10(16-11)12(17)18)15-9-5-13(9,3)4/h6-7,9,15H,5H2,1-4H3,(H,17,18)
InChIKeyGNEAVUQLRHOLOG-UHFFFAOYSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114546945
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840
5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 64923372
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
2-propan-2-yl-5-(prop-2-ynylamino)pyrimidine-4-carboxylic acid
CID 62085951
5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 113478927
5-[(2-methylthiolan-2-yl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 80738151
5-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087774
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
5-[4-(dimethylamino)butan-2-ylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087048
5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107413670

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62087944) is 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(NC2CC2(C)C)c(C(=O)O)n1.
What is the InChIKey of 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is GNEAVUQLRHOLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)11-14-6-8(10(16-11)12(17)18)15-9-5-13(9,3)4/h6-7,9,15H,5H2,1-4H3,(H,17,18).
What are the key properties of 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62087944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).