5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

C9H11ClN4O2 — CID 114582511

IUPAC5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(Cl)c(N)c2=O)C1=O
InChIInChI=1S/C9H11ClN4O2/c1-13-3-2-5(8(13)15)14-4-12-7(10)6(11)9(14)16/h4-5H,2-3,11H2,1H3
InChIKeyWAKPSNNCWUUCNX-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.12
Rot. Bonds1

About 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 114582511) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
PubChem CID114582511
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(Cl)c(N)c2=O)C1=O
InChIInChI=1S/C9H11ClN4O2/c1-13-3-2-5(8(13)15)14-4-12-7(10)6(11)9(14)16/h4-5H,2-3,11H2,1H3
InChIKeyWAKPSNNCWUUCNX-UHFFFAOYSA-N
XLogP-0.12
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one
CID 114623706
3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 130496569
3-(2-amino-7-chlorobenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258982
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446
3-(4-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 165479281
5-amino-6-chloro-3-(cyclohexylmethyl)pyrimidin-4-one
CID 114582793
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 114582836
3-[(3,6-dichloropyridazin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257583
5-amino-6-chloro-3-dodecylpyrimidin-4-one
CID 114582630
1-methyl-3-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]pyrrolidin-2-one
CID 155914149
1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one
CID 114165352
3-[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 167783974

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (CID 114582511) is 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is CN1CCC(n2cnc(Cl)c(N)c2=O)C1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is WAKPSNNCWUUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-13-3-2-5(8(13)15)14-4-12-7(10)6(11)9(14)16/h4-5H,2-3,11H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 242.67 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114582511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).