4-(diethylamino)-1-methylpyrimidin-2-one

C9H15N3O — CID 592552

IUPAC4-(diethylamino)-1-methylpyrimidin-2-one
SMILESCCN(CC)c1ccn(C)c(=O)n1
InChIInChI=1S/C9H15N3O/c1-4-12(5-2)8-6-7-11(3)9(13)10-8/h6-7H,4-5H2,1-3H3
InChIKeyUPMCJILGABYJJH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.63
Rot. Bonds3

About 4-(diethylamino)-1-methylpyrimidin-2-one

4-(diethylamino)-1-methylpyrimidin-2-one (PubChem CID 592552) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(diethylamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-methylpyrimidin-2-one
PubChem CID592552
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(diethylamino)-1-methylpyrimidin-2-one
SMILESCCN(CC)c1ccn(C)c(=O)n1
InChIInChI=1S/C9H15N3O/c1-4-12(5-2)8-6-7-11(3)9(13)10-8/h6-7H,4-5H2,1-3H3
InChIKeyUPMCJILGABYJJH-UHFFFAOYSA-N
XLogP0.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(diethylamino)-1-methylpyrimidin-2-one (CID 592552) is 4-(diethylamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(diethylamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(diethylamino)-1-methylpyrimidin-2-one is CCN(CC)c1ccn(C)c(=O)n1.
What is the InChIKey of 4-(diethylamino)-1-methylpyrimidin-2-one?
The InChIKey is UPMCJILGABYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12(5-2)8-6-7-11(3)9(13)10-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(diethylamino)-1-methylpyrimidin-2-one?
4-(diethylamino)-1-methylpyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 592552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).