1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione

C20H15ClN4O2 — CID 11463083

IUPAC1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(-c3ccccc3)c(Cl)nc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15ClN4O2/c1-24-19(26)16-18(25(20(24)27)12-13-8-4-2-5-9-13)23-17(21)15(22-16)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyXQQBYWCCCUUWTK-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.86
Rot. Bonds3

About 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione

1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione (PubChem CID 11463083) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
PubChem CID11463083
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(-c3ccccc3)c(Cl)nc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15ClN4O2/c1-24-19(26)16-18(25(20(24)27)12-13-8-4-2-5-9-13)23-17(21)15(22-16)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKeyXQQBYWCCCUUWTK-UHFFFAOYSA-N
XLogP2.86
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
CID 171781819
8-[(3-fluorophenyl)methyl]-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 67309011
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773
9-benzyl-1,7-dimethylpurine-6,8-dione
CID 163811964
1,3-dimethyl-8-nitro-9-[(4-phenylphenyl)methyl]purine-2,6-dione
CID 8522683
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
1,3-dimethyl-7-phenyl-6-pyridin-1-ium-1-ylpteridine-2,4-dione
CID 110171741
7-benzyl-8-hydrazinyl-1,3-dimethylpurine-2,6-dione
CID 839657
8-(2-aminoethylamino)-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 5037021
7-benzyl-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione
CID 4747355
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858
8-benzyl-3,5,7-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 102354391

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione?
The IUPAC name of 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione (CID 11463083) is 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione.
What is the SMILES notation for 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione?
The canonical SMILES for 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione is Cn1c(=O)c2nc(-c3ccccc3)c(Cl)nc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione?
The InChIKey is XQQBYWCCCUUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-24-19(26)16-18(25(20(24)27)12-13-8-4-2-5-9-13)23-17(21)15(22-16)14-10-6-3-7-11-14/h2-11H,12H2,1H3.
What are the key properties of 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione?
1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione has a molecular weight of 378.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione is sourced from PubChem (CID 11463083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).