4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one

C10H17N3O — CID 147922803

IUPAC4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one
SMILESCCn1c(C)c(C)c(N(C)C)nc1=O
InChIInChI=1S/C10H17N3O/c1-6-13-8(3)7(2)9(12(4)5)11-10(13)14/h6H2,1-5H3
InChIKeyIIIVVGIPOZMHLA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.95
Rot. Bonds2

About 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one

4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one (PubChem CID 147922803) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one
PubChem CID147922803
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one
SMILESCCn1c(C)c(C)c(N(C)C)nc1=O
InChIInChI=1S/C10H17N3O/c1-6-13-8(3)7(2)9(12(4)5)11-10(13)14/h6H2,1-5H3
InChIKeyIIIVVGIPOZMHLA-UHFFFAOYSA-N
XLogP0.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one (CID 147922803) is 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one is CCn1c(C)c(C)c(N(C)C)nc1=O.
What is the InChIKey of 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one?
The InChIKey is IIIVVGIPOZMHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-13-8(3)7(2)9(12(4)5)11-10(13)14/h6H2,1-5H3.
What are the key properties of 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one?
4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-ethyl-5,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 147922803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).