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

C18H27Cl2N3O — CID 90485541

IUPAC1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
SMILESCCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C.Cl.Cl
InChIInChI=1S/C18H25N3O.2ClH/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;2*1H
InChIKeyZOFFOYSCWXDMPH-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.71
Rot. Bonds6

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

1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride (PubChem CID 90485541) has the molecular formula C18H27Cl2N3O and a molecular weight of 372.34 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
PubChem CID90485541
Molecular FormulaC18H27Cl2N3O
Molecular Weight372.34 g/mol
Exact Mass371.15
IUPAC Name1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
SMILESCCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C.Cl.Cl
InChIInChI=1S/C18H25N3O.2ClH/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;2*1H
InChIKeyZOFFOYSCWXDMPH-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.71
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;dihydrochloride?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride (CID 90485541) is 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride is CCN(CC)CCn1c(C)nc(=O)c(-c2ccccc2)c1C.Cl.Cl.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride?
The InChIKey is ZOFFOYSCWXDMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.2ClH/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;2*1H.
What are the key properties of 1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride?
1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride has a molecular weight of 372.34 g/mol, XLogP of 3.71, 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;dihydrochloride is sourced from PubChem (CID 90485541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).