2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid

C11H15N3O2 — CID 107553924

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1(C)CCCN1c1nccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-11(2)5-3-7-14(11)10-12-6-4-8(13-10)9(15)16/h4,6H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyGUZIZDCWEQGKDJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.55
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid

2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 107553924) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID107553924
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
SMILESCC1(C)CCCN1c1nccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O2/c1-11(2)5-3-7-14(11)10-12-6-4-8(13-10)9(15)16/h4,6H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyGUZIZDCWEQGKDJ-UHFFFAOYSA-N
XLogP1.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid (CID 107553924) is 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid is CC1(C)CCCN1c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is GUZIZDCWEQGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2)5-3-7-14(11)10-12-6-4-8(13-10)9(15)16/h4,6H,3,5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid?
2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).