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

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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).