4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one

C23H28ClN3O — CID 10340786

IUPAC4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one
SMILESCCN(CC)CCC1=C(c2ccccc2)NC(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O/c1-4-27(5-2)16-15-20-21(17-9-7-6-8-10-17)25-23(28)26(3)22(20)18-11-13-19(24)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyLXEPYDWSLLSSIS-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.18
Rot. Bonds7

About 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one

4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one (PubChem CID 10340786) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one
PubChem CID10340786
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one
SMILESCCN(CC)CCC1=C(c2ccccc2)NC(=O)N(C)C1c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O/c1-4-27(5-2)16-15-20-21(17-9-7-6-8-10-17)25-23(28)26(3)22(20)18-11-13-19(24)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,25,28)
InChIKeyLXEPYDWSLLSSIS-UHFFFAOYSA-N
XLogP5.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one (CID 10340786) is 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one is CCN(CC)CCC1=C(c2ccccc2)NC(=O)N(C)C1c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one?
The InChIKey is LXEPYDWSLLSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c1-4-27(5-2)16-15-20-21(17-9-7-6-8-10-17)25-23(28)26(3)22(20)18-11-13-19(24)14-12-18/h6-14,22H,4-5,15-16H2,1-3H3,(H,25,28).
What are the key properties of 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one?
4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one has a molecular weight of 397.95 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[2-(diethylamino)ethyl]-3-methyl-6-phenyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 10340786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).