6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione

C17H14ClN3O2 — CID 2823053

IUPAC6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2
InChIKeyDPPHOGVTKKKZFH-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.28
Rot. Bonds3

About 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione

6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 2823053) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID2823053
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2
InChIKeyDPPHOGVTKKKZFH-UHFFFAOYSA-N
XLogP2.28
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pencycuron
CID 91692
(2E)-3-phenyl-N-(2,2,2-trichloro-1-(((4-chlorophenyl)carbamothioyl)amino)ethyl)prop-2-enamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-((
CID 5717737
1-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
1-(4-Chlorophenyl)-3-(4-methylbenzyl)urea
CID 2337855
1-(4-Chlorophenyl)-3-phenethylurea
CID 482058
N-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 846926
N-benzyl-N'-(4-chlorophenyl)-N-methylurea
CID 730303
ST51035134
CID 3436734
1,1-Dibenzyl-3-(2-chlorophenyl)urea
CID 3689466
3-(4-Chloro-2-methylphenyl)-1,1-dibenzylurea
CID 4295485
1,1-Dibenzyl-3-(2,4-dichlorophenyl)urea
CID 5175202

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 2823053) is 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione is Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is DPPHOGVTKKKZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-13-6-8-14(9-7-13)21-15(19)10-16(22)20(17(21)23)11-12-4-2-1-3-5-12/h1-10H,11,19H2.
What are the key properties of 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 327.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-benzyl-1-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2823053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).