4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one

C8H10FN5O — CID 106198376

IUPAC4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNc1ncc(F)c(NC2CNC(=O)C2)n1
InChIInChI=1S/C8H10FN5O/c9-5-3-12-8(10)14-7(5)13-4-1-6(15)11-2-4/h3-4H,1-2H2,(H,11,15)(H3,10,12,13,14)
InChIKeyJMOQDAJPTIIJCG-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.50
Rot. Bonds2

About 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one

4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 106198376) has the molecular formula C8H10FN5O and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID106198376
Molecular FormulaC8H10FN5O
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESNc1ncc(F)c(NC2CNC(=O)C2)n1
InChIInChI=1S/C8H10FN5O/c9-5-3-12-8(10)14-7(5)13-4-1-6(15)11-2-4/h3-4H,1-2H2,(H,11,15)(H3,10,12,13,14)
InChIKeyJMOQDAJPTIIJCG-UHFFFAOYSA-N
XLogP-0.50
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5,6-trifluoro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106192216
4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106182693
4-[(3-methylpyrazin-2-yl)amino]pyrrolidin-2-one
CID 106191914
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 156533351
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198309
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
4-(2-amino-4-bromo-5-fluoroanilino)pyrrolidin-2-one
CID 106183031
4-(2-amino-5-chloro-4-fluoroanilino)pyrrolidin-2-one
CID 106183056
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
CID 107143665
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
CID 106198193
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 107143766
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
CID 113395206

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one (CID 106198376) is 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one is Nc1ncc(F)c(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is JMOQDAJPTIIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN5O/c9-5-3-12-8(10)14-7(5)13-4-1-6(15)11-2-4/h3-4H,1-2H2,(H,11,15)(H3,10,12,13,14).
What are the key properties of 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one?
4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 211.20 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluoropyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).