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

C11H17N5O2 — CID 70631104

IUPAC5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNn1c(=O)[nH]cc(N2CCNCC2)c1=O
InChIInChI=1S/C11H17N5O2/c1-2-3-14-16-10(17)9(8-13-11(16)18)15-6-4-12-5-7-15/h2,8,12,14H,1,3-7H2,(H,13,18)
InChIKeyWJRBAGXFHGVDOG-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.32
Rot. Bonds4

About 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione

5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (PubChem CID 70631104) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
PubChem CID70631104
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESC=CCNn1c(=O)[nH]cc(N2CCNCC2)c1=O
InChIInChI=1S/C11H17N5O2/c1-2-3-14-16-10(17)9(8-13-11(16)18)15-6-4-12-5-7-15/h2,8,12,14H,1,3-7H2,(H,13,18)
InChIKeyWJRBAGXFHGVDOG-UHFFFAOYSA-N
XLogP-1.32
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 ≤ 5-1.32
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

5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione
CID 91199939
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-(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
3-Piperazin-1-yl-1-(prop-2-enylamino)pyrimidine-2,4-dione
CID 70631102
3-[(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]-1-prop-2-enylpyrimidine-2,4-dione
CID 91177048
3-(3-piperazin-1-ylprop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 173452824
1-(4-Methylpiperazin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 168018112

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione (CID 70631104) is 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is C=CCNn1c(=O)[nH]cc(N2CCNCC2)c1=O.
What is the InChIKey of 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is WJRBAGXFHGVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-3-14-16-10(17)9(8-13-11(16)18)15-6-4-12-5-7-15/h2,8,12,14H,1,3-7H2,(H,13,18).
What are the key properties of 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione?
5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70631104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).