1-(dimethylamino)-3-methylpyrimidine-2,4-dione

C7H11N3O2 — CID 134560908

IUPAC1-(dimethylamino)-3-methylpyrimidine-2,4-dione
SMILESCN(C)n1ccc(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O2/c1-8(2)10-5-4-6(11)9(3)7(10)12/h4-5H,1-3H3
InChIKeyAJWVSZQROYWZAX-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.26
Rot. Bonds1

About 1-(dimethylamino)-3-methylpyrimidine-2,4-dione

1-(dimethylamino)-3-methylpyrimidine-2,4-dione (PubChem CID 134560908) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(dimethylamino)-3-methylpyrimidine-2,4-dione
PubChem CID134560908
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-(dimethylamino)-3-methylpyrimidine-2,4-dione
SMILESCN(C)n1ccc(=O)n(C)c1=O
InChIInChI=1S/C7H11N3O2/c1-8(2)10-5-4-6(11)9(3)7(10)12/h4-5H,1-3H3
InChIKeyAJWVSZQROYWZAX-UHFFFAOYSA-N
XLogP-1.26
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(dimethylamino)-3-methylpyrimidine-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 1-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(dimethylamino)-3-methylpyrimidine-2,4-dione (CID 134560908) is 1-(dimethylamino)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(dimethylamino)-3-methylpyrimidine-2,4-dione is CN(C)n1ccc(=O)n(C)c1=O.
What is the InChIKey of 1-(dimethylamino)-3-methylpyrimidine-2,4-dione?
The InChIKey is AJWVSZQROYWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-8(2)10-5-4-6(11)9(3)7(10)12/h4-5H,1-3H3.
What are the key properties of 1-(dimethylamino)-3-methylpyrimidine-2,4-dione?
1-(dimethylamino)-3-methylpyrimidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 134560908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).