2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one

C26H25Cl2N3O — CID 44530186

IUPAC2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one
SMILESCC1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H25Cl2N3O/c1-26(15-14-18-8-4-2-5-9-18)23(20-12-13-21(27)22(28)16-20)24(32)31(25(29)30-26)17-19-10-6-3-7-11-19/h2-13,16,23H,14-15,17H2,1H3,(H2,29,30)
InChIKeyAVDQZTGUMSWXAM-UHFFFAOYSA-N
MW466.41 g/mol
LogP5.83
Rot. Bonds6

About 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one

2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one (PubChem CID 44530186) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one
PubChem CID44530186
Molecular FormulaC26H25Cl2N3O
Molecular Weight466.41 g/mol
Exact Mass465.14
IUPAC Name2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one
SMILESCC1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H25Cl2N3O/c1-26(15-14-18-8-4-2-5-9-18)23(20-12-13-21(27)22(28)16-20)24(32)31(25(29)30-26)17-19-10-6-3-7-11-19/h2-13,16,23H,14-15,17H2,1H3,(H2,29,30)
InChIKeyAVDQZTGUMSWXAM-UHFFFAOYSA-N
XLogP5.83
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one (CID 44530186) is 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one is CC1(CCc2ccccc2)N=C(N)N(Cc2ccccc2)C(=O)C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one?
The InChIKey is AVDQZTGUMSWXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-26(15-14-18-8-4-2-5-9-18)23(20-12-13-21(27)22(28)16-20)24(32)31(25(29)30-26)17-19-10-6-3-7-11-19/h2-13,16,23H,14-15,17H2,1H3,(H2,29,30).
What are the key properties of 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one?
2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one has a molecular weight of 466.41 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-5-(3,4-dichlorophenyl)-6-methyl-6-(2-phenylethyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 44530186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).