4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

C10H13N3O2 — CID 20855179

IUPAC4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCCC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-7-8(9(14)15)6-11-10(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyCHWCHEHLZAWFMC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.08
Rot. Bonds2

About 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid

4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 20855179) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID20855179
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCCC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O2/c1-7-8(9(14)15)6-11-10(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyCHWCHEHLZAWFMC-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid (CID 20855179) is 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is Cc1nc(N2CCCC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is CHWCHEHLZAWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-8(9(14)15)6-11-10(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid?
4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 20855179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).