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

C11H19N3O2 — CID 76998321

IUPAC2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C(N)(CC)CC)NC1=O
InChIInChI=1S/C11H19N3O2/c1-4-7-8(15)13-10(14-9(7)16)11(12,5-2)6-3/h7H,4-6,12H2,1-3H3,(H,13,14,15,16)
InChIKeyUITBELIBQUASIG-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.58
Rot. Bonds4

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

2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 76998321) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
PubChem CID76998321
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C(N)(CC)CC)NC1=O
InChIInChI=1S/C11H19N3O2/c1-4-7-8(15)13-10(14-9(7)16)11(12,5-2)6-3/h7H,4-6,12H2,1-3H3,(H,13,14,15,16)
InChIKeyUITBELIBQUASIG-UHFFFAOYSA-N
XLogP0.58
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.58
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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Related Compounds

2-tert-butyl-5,5-diethyl-1H-pyrimidine-4,6-dione
CID 172438812
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
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one;hydrochloride
CID 21750210
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
4-Methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
CID 123926240
2,5-di(propan-2-yl)-1H-pyrimidine-4,6-dione
CID 172096036
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione (CID 76998321) is 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(C(N)(CC)CC)NC1=O.
What is the InChIKey of 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is UITBELIBQUASIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-7-8(15)13-10(14-9(7)16)11(12,5-2)6-3/h7H,4-6,12H2,1-3H3,(H,13,14,15,16).
What are the key properties of 2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione?
2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 225.29 g/mol, XLogP of 0.58, 4 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-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).