6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione

C11H20N4O2 — CID 57314949

IUPAC6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione
SMILESCCCCCNc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-4-5-6-7-13-8-9(12)14(2)11(17)15(3)10(8)16/h13H,4-7,12H2,1-3H3
InChIKeyFISYTHDHLDCVPF-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.27
Rot. Bonds5

About 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione (PubChem CID 57314949) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione
PubChem CID57314949
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione
SMILESCCCCCNc1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O2/c1-4-5-6-7-13-8-9(12)14(2)11(17)15(3)10(8)16/h13H,4-7,12H2,1-3H3
InChIKeyFISYTHDHLDCVPF-UHFFFAOYSA-N
XLogP0.27
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-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 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione (CID 57314949) is 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione is CCCCCNc1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione?
The InChIKey is FISYTHDHLDCVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-6-7-13-8-9(12)14(2)11(17)15(3)10(8)16/h13H,4-7,12H2,1-3H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(pentylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 57314949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).