1-(prop-2-enylamino)pyrimidine-2,4-dione

C7H9N3O2 — CID 68773005

IUPAC1-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-4-8-10-5-3-6(11)9-7(10)12/h2-3,5,8H,1,4H2,(H,9,11,12)
InChIKeyCNBUKYRCYANKBA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.73
Rot. Bonds3

About 1-(prop-2-enylamino)pyrimidine-2,4-dione

1-(prop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 68773005) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(prop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(prop-2-enylamino)pyrimidine-2,4-dione
PubChem CID68773005
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-4-8-10-5-3-6(11)9-7(10)12/h2-3,5,8H,1,4H2,(H,9,11,12)
InChIKeyCNBUKYRCYANKBA-UHFFFAOYSA-N
XLogP-0.73
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.73
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 1-(prop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(prop-2-enylamino)pyrimidine-2,4-dione (CID 68773005) is 1-(prop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(prop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(prop-2-enylamino)pyrimidine-2,4-dione is C=CCNn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(prop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is CNBUKYRCYANKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-4-8-10-5-3-6(11)9-7(10)12/h2-3,5,8H,1,4H2,(H,9,11,12).
What are the key properties of 1-(prop-2-enylamino)pyrimidine-2,4-dione?
1-(prop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 167.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 68773005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).