1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione

C23H22N4O3 — CID 27372861

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3nccnc3n(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-5-16(2)18(12-15)14-26-21-20(24-10-11-25-21)22(28)27(23(26)29)13-17-6-8-19(30-3)9-7-17/h4-12H,13-14H2,1-3H3
InChIKeySDFSDGZTSRWZIR-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.68
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione

1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione (PubChem CID 27372861) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione
PubChem CID27372861
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c3nccnc3n(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-5-16(2)18(12-15)14-26-21-20(24-10-11-25-21)22(28)27(23(26)29)13-17-6-8-19(30-3)9-7-17/h4-12H,13-14H2,1-3H3
InChIKeySDFSDGZTSRWZIR-UHFFFAOYSA-N
XLogP2.68
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione (CID 27372861) is 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione is COc1ccc(Cn2c(=O)c3nccnc3n(Cc3cc(C)ccc3C)c2=O)cc1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione?
The InChIKey is SDFSDGZTSRWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-4-5-16(2)18(12-15)14-26-21-20(24-10-11-25-21)22(28)27(23(26)29)13-17-6-8-19(30-3)9-7-17/h4-12H,13-14H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione?
1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione has a molecular weight of 402.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pteridine-2,4-dione is sourced from PubChem (CID 27372861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).