4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one

C9H12N4O2 — CID 15698895

IUPAC4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@@H]2CCC(=O)N2)c(=O)n1
InChIInChI=1S/C9H12N4O2/c10-7-3-4-13(9(15)12-7)5-6-1-2-8(14)11-6/h3-4,6H,1-2,5H2,(H,11,14)(H2,10,12,15)/t6-/m0/s1
InChIKeyAYFFZSGBQBHFJY-LURJTMIESA-N
MW208.22 g/mol
LogP-0.90
Rot. Bonds2

About 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one

4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one (PubChem CID 15698895) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one
PubChem CID15698895
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@@H]2CCC(=O)N2)c(=O)n1
InChIInChI=1S/C9H12N4O2/c10-7-3-4-13(9(15)12-7)5-6-1-2-8(14)11-6/h3-4,6H,1-2,5H2,(H,11,14)(H2,10,12,15)/t6-/m0/s1
InChIKeyAYFFZSGBQBHFJY-LURJTMIESA-N
XLogP-0.90
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one (CID 15698895) is 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one is Nc1ccn(C[C@@H]2CCC(=O)N2)c(=O)n1.
What is the InChIKey of 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one?
The InChIKey is AYFFZSGBQBHFJY-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4O2/c10-7-3-4-13(9(15)12-7)5-6-1-2-8(14)11-6/h3-4,6H,1-2,5H2,(H,11,14)(H2,10,12,15)/t6-/m0/s1.
What are the key properties of 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one?
4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 15698895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).