4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one

C8H8ClFN4O — CID 168700907

IUPAC4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C8H8ClFN4O/c9-7-6(10)8(13-3-12-7)14-2-4(11)1-5(14)15/h3-4H,1-2,11H2
InChIKeyIIJZMKDMCSQVDZ-UHFFFAOYSA-N
MW230.63 g/mol
LogP0.33
Rot. Bonds1

About 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one

4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168700907) has the molecular formula C8H8ClFN4O and a molecular weight of 230.63 g/mol. Its IUPAC name is 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168700907
Molecular FormulaC8H8ClFN4O
Molecular Weight230.63 g/mol
Exact Mass230.04
IUPAC Name4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C8H8ClFN4O/c9-7-6(10)8(13-3-12-7)14-2-4(11)1-5(14)15/h3-4H,1-2,11H2
InChIKeyIIJZMKDMCSQVDZ-UHFFFAOYSA-N
XLogP0.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-5-fluoropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509199
4-(bromomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505878
4-amino-1-(4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700417
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
4-amino-1-(2-amino-4,6-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168700414
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
CID 168661017
4-amino-1-(6-bromoquinazolin-4-yl)pyrrolidin-2-one
CID 168700953
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-(6-chloro-5-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670229
1-(5-bromo-6-chloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168503065
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one (CID 168700907) is 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one is NC1CC(=O)N(c2ncnc(Cl)c2F)C1.
What is the InChIKey of 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is IIJZMKDMCSQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN4O/c9-7-6(10)8(13-3-12-7)14-2-4(11)1-5(14)15/h3-4H,1-2,11H2.
What are the key properties of 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 230.63 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168700907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).