4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one

C8H8Cl2N4O — CID 168700844

IUPAC4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C8H8Cl2N4O/c9-5-2-12-8(10)13-7(5)14-3-4(11)1-6(14)15/h2,4H,1,3,11H2
InChIKeyVTUSUOYQCKHSJO-UHFFFAOYSA-N
MW247.08 g/mol
LogP0.85
Rot. Bonds1

About 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one

4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168700844) has the molecular formula C8H8Cl2N4O and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168700844
Molecular FormulaC8H8Cl2N4O
Molecular Weight247.08 g/mol
Exact Mass246.01
IUPAC Name4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C8H8Cl2N4O/c9-5-2-12-8(10)13-7(5)14-3-4(11)1-6(14)15/h2,4H,1,3,11H2
InChIKeyVTUSUOYQCKHSJO-UHFFFAOYSA-N
XLogP0.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694945
1-(5-amino-2-chloropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509113
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189
1-(2-chloro-5-iodopyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671819
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-(2-chloro-5-nitropyrimidin-4-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663794

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one (CID 168700844) is 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one is NC1CC(=O)N(c2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is VTUSUOYQCKHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O/c9-5-2-12-8(10)13-7(5)14-3-4(11)1-6(14)15/h2,4H,1,3,11H2.
What are the key properties of 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one?
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 247.08 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168700844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).