2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione

C12H19N3O2 — CID 76998266

IUPAC2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2CCCNC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8-9,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyXFTYDGBLEWXHJF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.46
Rot. Bonds3

About 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione

2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998266) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998266
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2CCCNC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8-9,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyXFTYDGBLEWXHJF-UHFFFAOYSA-N
XLogP0.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-fluoro-2-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 80550883
5-fluoro-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 80550911
2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
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
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
CID 123586564
2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 140735915
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
N,N'-dimethyl-1-propanoylpiperidine-3-carboximidamide
CID 169661791
1-acetyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
CID 169661836

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione (CID 76998266) is 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C2CCCNC2)NC1=O.
What is the InChIKey of 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is XFTYDGBLEWXHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-4-9-11(16)14-10(15-12(9)17)8-5-3-6-13-7-8/h8-9,13H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione?
2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).