4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one

C9H15N3O — CID 20744767

IUPAC4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one
SMILESCc1c(N(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3
InChIKeyHQYWFQVBXFAEDT-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.46
Rot. Bonds1

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

4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one (PubChem CID 20744767) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one
PubChem CID20744767
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one
SMILESCc1c(N(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3
InChIKeyHQYWFQVBXFAEDT-UHFFFAOYSA-N
XLogP0.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one (CID 20744767) is 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one is Cc1c(N(C)C)nc(=O)n(C)c1C.
What is the InChIKey of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one?
The InChIKey is HQYWFQVBXFAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-7(2)12(5)9(13)10-8(6)11(3)4/h1-5H3.
What are the key properties of 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one?
4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,5,6-trimethylpyrimidin-2-one is sourced from PubChem (CID 20744767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).