1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H14ClFN4O — CID 106321020

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H14ClFN4O/c1-11(9(18)14-2)3-4-17(6-11)8-7(13)5-15-10(12)16-8/h5H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyZZWPDFYWNPMDGG-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.23
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321020) has the molecular formula C11H14ClFN4O and a molecular weight of 272.71 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321020
Molecular FormulaC11H14ClFN4O
Molecular Weight272.71 g/mol
Exact Mass272.08
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C11H14ClFN4O/c1-11(9(18)14-2)3-4-17(6-11)8-7(13)5-15-10(12)16-8/h5H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyZZWPDFYWNPMDGG-UHFFFAOYSA-N
XLogP1.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321020) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ZZWPDFYWNPMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4O/c1-11(9(18)14-2)3-4-17(6-11)8-7(13)5-15-10(12)16-8/h5H,3-4,6H2,1-2H3,(H,14,18).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).