1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one

C18H25N3O — CID 892434

IUPAC1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3
InChIKeyUUCSGAUKOYGFED-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one

1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one (PubChem CID 892434) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one
PubChem CID892434
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one
SMILESCCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3
InChIKeyUUCSGAUKOYGFED-UHFFFAOYSA-N
XLogP2.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one (CID 892434) is 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one is CCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one?
The InChIKey is UUCSGAUKOYGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-20(6-2)12-13-21-14(3)17(18(22)19-15(21)4)16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one?
1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one has a molecular weight of 299.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 892434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).