2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

C12H19N3O2 — CID 79500965

IUPAC2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(C2(N)CCCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-11(2)9(16)14-8(15-10(11)17)12(13)6-4-3-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIWSVCOHIHZAMNF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds1

About 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 79500965) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID79500965
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(C2(N)CCCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-11(2)9(16)14-8(15-10(11)17)12(13)6-4-3-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16,17)
InChIKeyIWSVCOHIHZAMNF-UHFFFAOYSA-N
XLogP0.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (CID 79500965) is 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is CC1(C)C(=O)N=C(C2(N)CCCCC2)NC1=O.
What is the InChIKey of 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is IWSVCOHIHZAMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-11(2)9(16)14-8(15-10(11)17)12(13)6-4-3-5-7-12/h3-7,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79500965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).