5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H12N4O2 — CID 168686244

IUPAC5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESC=CC1CC(=O)N(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H12N4O2/c1-2-6-3-7(15)14(4-6)9-8(11)10(16)13-5-12-9/h2,5-6H,1,3-4,11H2,(H,12,13,16)
InChIKeySFXMMISCDOMSED-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.11
Rot. Bonds2

About 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one

5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 168686244) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID168686244
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESC=CC1CC(=O)N(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H12N4O2/c1-2-6-3-7(15)14(4-6)9-8(11)10(16)13-5-12-9/h2,5-6H,1,3-4,11H2,(H,12,13,16)
InChIKeySFXMMISCDOMSED-UHFFFAOYSA-N
XLogP-0.11
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 168686244) is 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one is C=CC1CC(=O)N(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is SFXMMISCDOMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-6-3-7(15)14(4-6)9-8(11)10(16)13-5-12-9/h2,5-6H,1,3-4,11H2,(H,12,13,16).
What are the key properties of 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 220.23 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethenyl-2-oxopyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 168686244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).