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

C12H19N3O2 — CID 79502048

IUPAC2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-7(2)8-9(16)14-11(15-10(8)17)12(13)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyAIWAHHIEUCMBPA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.58
Rot. Bonds2

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

2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79502048) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79502048
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(C2(N)CCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-7(2)8-9(16)14-11(15-10(8)17)12(13)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyAIWAHHIEUCMBPA-UHFFFAOYSA-N
XLogP0.58
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
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-(1-aminocyclopentyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550726
4-Methyl-4-propan-2-yl-2-propyl-1,5-dihydropyrimidin-6-one
CID 123926240
2-cyclohexyl-4,4-diethyl-1H-imidazol-5-one
CID 144081678
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
2-(1-aminocyclopentyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998419
2-(1-aminocyclopentyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998420
2-(1-aminocyclohexyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998511

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione (CID 79502048) is 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione is CC(C)C1C(=O)N=C(C2(N)CCCC2)NC1=O.
What is the InChIKey of 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is AIWAHHIEUCMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)8-9(16)14-11(15-10(8)17)12(13)5-3-4-6-12/h7-8H,3-6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione?
2-(1-aminocyclopentyl)-5-propan-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.58, 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-propan-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).