1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C10H14FN5O — CID 80766113

IUPAC1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C10H14FN5O/c1-13-10-14-5-6(11)9(15-10)16-4-2-3-7(16)8(12)17/h5,7H,2-4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyVJDOCNRJRNAMKU-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.11
Rot. Bonds3

About 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80766113) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80766113
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1ncc(F)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C10H14FN5O/c1-13-10-14-5-6(11)9(15-10)16-4-2-3-7(16)8(12)17/h5,7H,2-4H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyVJDOCNRJRNAMKU-UHFFFAOYSA-N
XLogP0.11
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-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-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80766113) is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CNc1ncc(F)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VJDOCNRJRNAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O/c1-13-10-14-5-6(11)9(15-10)16-4-2-3-7(16)8(12)17/h5,7H,2-4H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 239.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80766113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).