6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione

C11H20N4O2 — CID 54933537

IUPAC6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(C)CC(C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-6(2)5-7(3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17)
InChIKeyUXDAODOKGVNLFC-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.50
Rot. Bonds4

About 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione (PubChem CID 54933537) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione
PubChem CID54933537
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione
SMILESCC(C)CC(C)Nc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-6(2)5-7(3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17)
InChIKeyUXDAODOKGVNLFC-UHFFFAOYSA-N
XLogP0.50
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)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-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione (CID 54933537) is 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione is CC(C)CC(C)Nc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione?
The InChIKey is UXDAODOKGVNLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(2)5-7(3)13-8-9(12)15(4)11(17)14-10(8)16/h6-7,13H,5,12H2,1-4H3,(H,14,16,17).
What are the key properties of 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(4-methylpentan-2-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54933537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).