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

C12H21N3O2 — CID 3025413

IUPAC1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-9(2)10(13(3)4)11(16)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMWLGWFZXQAMCOB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.72
Rot. Bonds4

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

1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 3025413) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID3025413
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C12H21N3O2/c1-6-7-8-15-9(2)10(13(3)4)11(16)14(5)12(15)17/h6-8H2,1-5H3
InChIKeyMWLGWFZXQAMCOB-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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione (CID 3025413) is 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione is CCCCn1c(C)c(N(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is MWLGWFZXQAMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-7-8-15-9(2)10(13(3)4)11(16)14(5)12(15)17/h6-8H2,1-5H3.
What are the key properties of 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione?
1-butyl-5-(dimethylamino)-3,6-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 1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3025413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).