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

C7H9N3O2 — CID 68773007

IUPAC3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-4-9-10-6(11)3-5-8-7(10)12/h2-3,5,9H,1,4H2,(H,8,12)
InChIKeyNWIXCDFRTVFOPV-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.73
Rot. Bonds3

About 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione

3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (PubChem CID 68773007) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
PubChem CID68773007
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNn1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-2-4-9-10-6(11)3-5-8-7(10)12/h2-3,5,9H,1,4H2,(H,8,12)
InChIKeyNWIXCDFRTVFOPV-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 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (CID 68773007) is 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is C=CCNn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is NWIXCDFRTVFOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-4-9-10-6(11)3-5-8-7(10)12/h2-3,5,9H,1,4H2,(H,8,12).
What are the key properties of 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
3-(prop-2-enylamino)-1H-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 3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68773007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).