2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione

C11H17N3O2 — CID 76998419

IUPAC2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-7-8(15)13-10(14-9(7)16)11(12)5-3-4-6-11/h7H,2-6,12H2,1H3,(H,13,14,15,16)
InChIKeyZFXGAYMSINRXJY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds2

About 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione

2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione (PubChem CID 76998419) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione
PubChem CID76998419
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-7-8(15)13-10(14-9(7)16)11(12)5-3-4-6-11/h7H,2-6,12H2,1H3,(H,13,14,15,16)
InChIKeyZFXGAYMSINRXJY-UHFFFAOYSA-N
XLogP0.34
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
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-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550726
2-Butan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 54556101
2-(2-Methylpropyl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 59138292
2-Propan-2-yl-1,3-diazaspiro[4.4]non-1-en-4-one
CID 138707399
2-cyclohexyl-4,4-diethyl-1H-imidazol-5-one
CID 144081678
2-(2-Tritiopropan-2-yl)-1,3-diazaspiro[4.4]non-1-en-4-one
CID 164766019
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
2-(2-aminobutan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998414

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione (CID 76998419) is 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(C2(N)CCCC2)NC1=O.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione?
The InChIKey is ZFXGAYMSINRXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-7-8(15)13-10(14-9(7)16)11(12)5-3-4-6-11/h7H,2-6,12H2,1H3,(H,13,14,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).