2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione

C13H23N3O2 — CID 79502630

IUPAC2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
SMILESCCC(N)(CC)C1=NC(=O)C(CC)(CC)C(=O)N1
InChIInChI=1S/C13H23N3O2/c1-5-12(6-2)10(17)15-9(16-11(12)18)13(14,7-3)8-4/h5-8,14H2,1-4H3,(H,15,16,17,18)
InChIKeyHGNDXZTWDYWCKK-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.37
Rot. Bonds5

About 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione

2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione (PubChem CID 79502630) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
PubChem CID79502630
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
SMILESCCC(N)(CC)C1=NC(=O)C(CC)(CC)C(=O)N1
InChIInChI=1S/C13H23N3O2/c1-5-12(6-2)10(17)15-9(16-11(12)18)13(14,7-3)8-4/h5-8,14H2,1-4H3,(H,15,16,17,18)
InChIKeyHGNDXZTWDYWCKK-UHFFFAOYSA-N
XLogP1.37
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione with MolForge

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Related Compounds

2-tert-butyl-5,5-diethyl-1H-pyrimidine-4,6-dione
CID 172438812
5,5-Diethyl-2-methylpyrimidine-4,6-dione
CID 3763528
2-(3-aminopentan-3-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550815
2-(2-aminobutan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550836
1H-1,4-Diazepine-5,7(2H,6H)-dione, 3-(dimethylamino)-6,6-diethyl-2,2-dimethyl-
CID 593550
3-(dimethylamino)-2,2-dimethyl-6,6-di(propan-2-yl)-1H-1,4-diazepine-5,7-dione
CID 12463391
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
2-(2-aminopropan-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998165
2-(2-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998166
2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998321
2-(3-aminopentan-3-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998322
2-(2-aminobutan-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998413

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione (CID 79502630) is 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione is CCC(N)(CC)C1=NC(=O)C(CC)(CC)C(=O)N1.
What is the InChIKey of 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The InChIKey is HGNDXZTWDYWCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-12(6-2)10(17)15-9(16-11(12)18)13(14,7-3)8-4/h5-8,14H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione has a molecular weight of 253.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopentan-3-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).