4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one

C8H9Cl2N5O — CID 168700414

IUPAC4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
SMILESNc1nc(Cl)c(N2CC(N)CC2=O)c(Cl)n1
InChIInChI=1S/C8H9Cl2N5O/c9-6-5(7(10)14-8(12)13-6)15-2-3(11)1-4(15)16/h3H,1-2,11H2,(H2,12,13,14)
InChIKeyIEYQZQGXKKNKMN-UHFFFAOYSA-N
MW262.10 g/mol
LogP0.43
Rot. Bonds1

About 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one

4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one (PubChem CID 168700414) has the molecular formula C8H9Cl2N5O and a molecular weight of 262.10 g/mol. Its IUPAC name is 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
PubChem CID168700414
Molecular FormulaC8H9Cl2N5O
Molecular Weight262.10 g/mol
Exact Mass261.02
IUPAC Name4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
SMILESNc1nc(Cl)c(N2CC(N)CC2=O)c(Cl)n1
InChIInChI=1S/C8H9Cl2N5O/c9-6-5(7(10)14-8(12)13-6)15-2-3(11)1-4(15)16/h3H,1-2,11H2,(H2,12,13,14)
InChIKeyIEYQZQGXKKNKMN-UHFFFAOYSA-N
XLogP0.43
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(4,6-dichloropyrimidin-2-yl)pyrrolidin-2-one
CID 168701271
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(5-chloro-2-pyridinyl)pyrrolidin-2-one
CID 43521189
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907
4-(4-amino-2-oxopyrrolidin-1-yl)-3,5-dichlorobenzonitrile
CID 168700407
4-amino-1-(2-amino-7H-purin-6-yl)pyrrolidin-2-one
CID 168700963
2-(4-amino-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168700387
4-amino-1-(2-amino-3,5-dichlorophenyl)pyrrolidin-2-one
CID 168701038
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
4-amino-1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)pyrrolidin-2-one
CID 168701244

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one (CID 168700414) is 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one is Nc1nc(Cl)c(N2CC(N)CC2=O)c(Cl)n1.
What is the InChIKey of 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one?
The InChIKey is IEYQZQGXKKNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5O/c9-6-5(7(10)14-8(12)13-6)15-2-3(11)1-4(15)16/h3H,1-2,11H2,(H2,12,13,14).
What are the key properties of 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one?
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one has a molecular weight of 262.10 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168700414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).