5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one

C11H15ClN4O2 — CID 114582714

IUPAC5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-7(10(17)15-4-2-3-5-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3
InChIKeyUPNUTZFTSJLKME-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.66
Rot. Bonds2

About 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one

5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (PubChem CID 114582714) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
PubChem CID114582714
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
SMILESCC(C(=O)N1CCCC1)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-7(10(17)15-4-2-3-5-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3
InChIKeyUPNUTZFTSJLKME-UHFFFAOYSA-N
XLogP0.66
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-diamino-2-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 136146227
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
5-Bromo-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604394

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one (CID 114582714) is 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is CC(C(=O)N1CCCC1)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
The InChIKey is UPNUTZFTSJLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(10(17)15-4-2-3-5-15)16-6-14-9(12)8(13)11(16)18/h6-7H,2-5,13H2,1H3.
What are the key properties of 5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one has a molecular weight of 270.72 g/mol, XLogP of 0.66, 2 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-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 114582714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).