1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione

C11H17N5O2 — CID 70630908

IUPAC1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CC(Nn1ccc(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C11H17N5O2/c1-2-9(15-7-4-12-5-8-15)14-16-6-3-10(17)13-11(16)18/h2-3,6,9,12,14H,1,4-5,7-8H2,(H,13,17,18)
InChIKeyMPKBAAUOTNGGEB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.50
Rot. Bonds4

About 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione

1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 70630908) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione
PubChem CID70630908
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=CC(Nn1ccc(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C11H17N5O2/c1-2-9(15-7-4-12-5-8-15)14-16-6-3-10(17)13-11(16)18/h2-3,6,9,12,14H,1,4-5,7-8H2,(H,13,17,18)
InChIKeyMPKBAAUOTNGGEB-UHFFFAOYSA-N
XLogP-1.50
TPSA82.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
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-[Piperazin-1-yl(prop-2-enyl)amino]pyrimidine-2,4-dione
CID 70630909
3-Piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione
CID 70631102
5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 70631104

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione (CID 70630908) is 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione is C=CC(Nn1ccc(=O)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is MPKBAAUOTNGGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-9(15-7-4-12-5-8-15)14-16-6-3-10(17)13-11(16)18/h2-3,6,9,12,14H,1,4-5,7-8H2,(H,13,17,18).
What are the key properties of 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione?
1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperazin-1-ylprop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 70630908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).