3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

C14H20FN5O3 — CID 69021381

IUPAC3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCc1cc(N2CCOCC2)nc(NC2CN(C(=O)O)CC2F)n1
InChIInChI=1S/C14H20FN5O3/c1-9-6-12(19-2-4-23-5-3-19)18-13(16-9)17-11-8-20(14(21)22)7-10(11)15/h6,10-11H,2-5,7-8H2,1H3,(H,21,22)(H,16,17,18)
InChIKeyRWLGEBGQQIVDGG-UHFFFAOYSA-N
MW325.34 g/mol
LogP0.73
Rot. Bonds3

About 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid

3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 69021381) has the molecular formula C14H20FN5O3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID69021381
Molecular FormulaC14H20FN5O3
Molecular Weight325.34 g/mol
Exact Mass325.16
IUPAC Name3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCc1cc(N2CCOCC2)nc(NC2CN(C(=O)O)CC2F)n1
InChIInChI=1S/C14H20FN5O3/c1-9-6-12(19-2-4-23-5-3-19)18-13(16-9)17-11-8-20(14(21)22)7-10(11)15/h6,10-11H,2-5,7-8H2,1H3,(H,21,22)(H,16,17,18)
InChIKeyRWLGEBGQQIVDGG-UHFFFAOYSA-N
XLogP0.73
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid (CID 69021381) is 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is Cc1cc(N2CCOCC2)nc(NC2CN(C(=O)O)CC2F)n1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is RWLGEBGQQIVDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O3/c1-9-6-12(19-2-4-23-5-3-19)18-13(16-9)17-11-8-20(14(21)22)7-10(11)15/h6,10-11H,2-5,7-8H2,1H3,(H,21,22)(H,16,17,18).
What are the key properties of 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid?
3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69021381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).