4-amino-1-prop-2-enoylpyrimidin-2-one

C7H7N3O2 — CID 152628564

IUPAC4-amino-1-prop-2-enoylpyrimidin-2-one
SMILESC=CC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C7H7N3O2/c1-2-6(11)10-4-3-5(8)9-7(10)12/h2-4H,1H2,(H2,8,9,12)
InChIKeyZDAMMWFGUQKOTQ-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.35
Rot. Bonds1

About 4-amino-1-prop-2-enoylpyrimidin-2-one

4-amino-1-prop-2-enoylpyrimidin-2-one (PubChem CID 152628564) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-amino-1-prop-2-enoylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-prop-2-enoylpyrimidin-2-one
PubChem CID152628564
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-amino-1-prop-2-enoylpyrimidin-2-one
SMILESC=CC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C7H7N3O2/c1-2-6(11)10-4-3-5(8)9-7(10)12/h2-4H,1H2,(H2,8,9,12)
InChIKeyZDAMMWFGUQKOTQ-UHFFFAOYSA-N
XLogP-0.35
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-prop-2-enoylpyrimidin-2-one?
The IUPAC name of 4-amino-1-prop-2-enoylpyrimidin-2-one (CID 152628564) is 4-amino-1-prop-2-enoylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-prop-2-enoylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-prop-2-enoylpyrimidin-2-one is C=CC(=O)n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-prop-2-enoylpyrimidin-2-one?
The InChIKey is ZDAMMWFGUQKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-2-6(11)10-4-3-5(8)9-7(10)12/h2-4H,1H2,(H2,8,9,12).
What are the key properties of 4-amino-1-prop-2-enoylpyrimidin-2-one?
4-amino-1-prop-2-enoylpyrimidin-2-one has a molecular weight of 165.15 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-prop-2-enoylpyrimidin-2-one is sourced from PubChem (CID 152628564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).