5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one

C15H20N4O — CID 144832574

IUPAC5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESC=C/C=C(\C=C)Cc1cnc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C15H20N4O/c1-3-5-12(4-2)10-13-11-17-15(18-14(13)20)19-8-6-16-7-9-19/h3-5,11,16H,1-2,6-10H2,(H,17,18,20)/b12-5+
InChIKeyRKKDPVMYDJWDHC-LFYBBSHMSA-N
MW272.35 g/mol
LogP1.02
Rot. Bonds5

About 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one

5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 144832574) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID144832574
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESC=C/C=C(\C=C)Cc1cnc(N2CCNCC2)[nH]c1=O
InChIInChI=1S/C15H20N4O/c1-3-5-12(4-2)10-13-11-17-15(18-14(13)20)19-8-6-16-7-9-19/h3-5,11,16H,1-2,6-10H2,(H,17,18,20)/b12-5+
InChIKeyRKKDPVMYDJWDHC-LFYBBSHMSA-N
XLogP1.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Diamino-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-ol
CID 135484960
5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one
CID 59900353
2-[3-[4-(7-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]guanidine
CID 136489246
2-(4-methylpiperazin-1-yl)-3a,7a-dihydro-1H-benzimidazole-4-carboxamide
CID 9878379
2-Amino-5-[(1,2-dihydro-2-oxo-4-pyridinyl)methyl]-4(1H)-pyrimidinone
CID 14975744
5-(2-aminoethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 83852427
4-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-propyl-1H-pyrimidin-6-one
CID 135774812
2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135774823
6-Amino-2-(piperazin-1-yl)-5-propylpyrimidin-4(3h)-one
CID 136077966
2-Piperazin-1-yl-3,7-dihydrocyclohepta[d]pyrimidin-4-one
CID 177965845

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 144832574) is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one is C=C/C=C(\C=C)Cc1cnc(N2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RKKDPVMYDJWDHC-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-5-12(4-2)10-13-11-17-15(18-14(13)20)19-8-6-16-7-9-19/h3-5,11,16H,1-2,6-10H2,(H,17,18,20)/b12-5+.
What are the key properties of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one?
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 272.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 144832574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).