3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione

C12H21N3O2 — CID 3025414

IUPAC3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMOSBBDDOEFPVLI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds4

About 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione

3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 3025414) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
PubChem CID3025414
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMOSBBDDOEFPVLI-UHFFFAOYSA-N
XLogP0.72
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-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 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione (CID 3025414) is 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione is CCCCn1c(=O)c(N(C)C)c(C)n(C)c1=O.
What is the InChIKey of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is MOSBBDDOEFPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-7-8-15-11(16)10(13(3)4)9(2)14(5)12(15)17/h6-8H2,1-5H3.
What are the key properties of 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione?
3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(dimethylamino)-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).