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

C11H17N5O2 — CID 70631102

IUPAC3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)n(N2CCNCC2)c1=O
InChIInChI=1S/C11H17N5O2/c1-2-4-13-15-7-3-10(17)16(11(15)18)14-8-5-12-6-9-14/h2-3,7,12-13H,1,4-6,8-9H2
InChIKeySNQQJGLAPVTRBY-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.72
Rot. Bonds4

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

3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 70631102) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione
PubChem CID70631102
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CCNn1ccc(=O)n(N2CCNCC2)c1=O
InChIInChI=1S/C11H17N5O2/c1-2-4-13-15-7-3-10(17)16(11(15)18)14-8-5-12-6-9-14/h2-3,7,12-13H,1,4-6,8-9H2
InChIKeySNQQJGLAPVTRBY-UHFFFAOYSA-N
XLogP-1.72
TPSA71.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(prop-2-enoylamino)piperazin-2-yl]prop-2-enamide
CID 18678968
1-Piperazin-1-ylpyrimidine-2,4-dione
CID 21388289
1-Piperazin-1-yl-3-propylpyrimidine-2,4-dione
CID 21625366
3-piperazin-1-yl-1H-pyrimidine-2,4-dione
CID 21625404
1-(2-Aminoethylamino)pyrimidine-2,4-dione
CID 21625406
piperazine;1H-pyrimidine-2,4-dione
CID 67838221
1,3-Bis(prop-2-enylamino)pyrimidine-2,4-dione
CID 67911243
3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 68573562
1-(Prop-2-enylamino)pyrimidine-2,4-dione
CID 68773005
3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 68773007
1-(1-Piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione
CID 70630908
1-[Piperazin-1-yl(prop-2-enyl)amino]pyrimidine-2,4-dione
CID 70630909

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione (CID 70631102) is 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione is C=CCNn1ccc(=O)n(N2CCNCC2)c1=O.
What is the InChIKey of 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is SNQQJGLAPVTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-4-13-15-7-3-10(17)16(11(15)18)14-8-5-12-6-9-14/h2-3,7,12-13H,1,4-6,8-9H2.
What are the key properties of 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione?
3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 70631102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).