2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione

C14H24N4O2 — CID 76998221

IUPAC2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(CC)N2CCNCC2)NC1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyDWTQCSHKPORMCO-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.14
Rot. Bonds5

About 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione

2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998221) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998221
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C(CC)N2CCNCC2)NC1=O
InChIInChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20)
InChIKeyDWTQCSHKPORMCO-UHFFFAOYSA-N
XLogP0.14
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[3,3-diamino-2-(1-ethyl-5-fluoro-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium-2-yl)propanoyl]amino]piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 124009483
5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one
CID 59469266
3-Ethyl-9-piperidin-4-yl-2-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 71103884
2,3-Diethyl-9-piperidin-4-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 71103994
(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 90089630
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 90230592
4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 123442516

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione (CID 76998221) is 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C(CC)N2CCNCC2)NC1=O.
What is the InChIKey of 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is DWTQCSHKPORMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-5-10-13(19)16-12(17-14(10)20)11(4-2)18-8-6-15-7-9-18/h10-11,15H,3-9H2,1-2H3,(H,16,17,19,20).
What are the key properties of 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione?
2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 280.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).