7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione

C14H11BrN4O3 — CID 135442652

IUPAC7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(-c3ccc(O)cc3)c(Br)nc2n(C)c1=O
InChIInChI=1S/C14H11BrN4O3/c1-18-12-10(13(21)19(2)14(18)22)16-9(11(15)17-12)7-3-5-8(20)6-4-7/h3-6,20H,1-2H3
InChIKeyAECUDBPVDYVGHR-UHFFFAOYSA-N
MW363.17 g/mol
LogP1.16
Rot. Bonds1

About 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione

7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione (PubChem CID 135442652) has the molecular formula C14H11BrN4O3 and a molecular weight of 363.17 g/mol. Its IUPAC name is 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione
PubChem CID135442652
Molecular FormulaC14H11BrN4O3
Molecular Weight363.17 g/mol
Exact Mass362.00
IUPAC Name7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione
SMILESCn1c(=O)c2nc(-c3ccc(O)cc3)c(Br)nc2n(C)c1=O
InChIInChI=1S/C14H11BrN4O3/c1-18-12-10(13(21)19(2)14(18)22)16-9(11(15)17-12)7-3-5-8(20)6-4-7/h3-6,20H,1-2H3
InChIKeyAECUDBPVDYVGHR-UHFFFAOYSA-N
XLogP1.16
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-7-phenyl-6-pyridin-1-ium-1-ylpteridine-2,4-dione
CID 110171741
propan-2-yl 4-[7-bromo-6-(3,4-dimethoxyphenyl)-1-methyl-2,4-dioxopteridin-3-yl]butanoate
CID 11386852
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
1,3,7-trimethyl-2,4-dioxopteridine-6-carboxylic acid
CID 15359662
1-benzyl-7-chloro-3-methyl-6-phenylpteridine-2,4-dione
CID 11463083
7-methoxy-1,3,6-trimethylpteridine-2,4-dione
CID 69440037
8-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
CID 135625954
8-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione
CID 135650576
[(1R,2R)-1-(1,3-dimethyl-2,4-dioxopteridin-6-yl)-2-hydroxypropyl] (Z)-3-(4-hydroxyphenyl)-2-methoxyprop-2-enoate
CID 71609086
8-(5-bromo-2-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 136863765
8-[2-(4-hydroxyphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione
CID 2815784
1,3-dimethyl-8H-pyrimido[4,5-g]pteridine-2,4,9-trione
CID 135510405

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione?
The IUPAC name of 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione (CID 135442652) is 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione.
What is the SMILES notation for 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione?
The canonical SMILES for 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione is Cn1c(=O)c2nc(-c3ccc(O)cc3)c(Br)nc2n(C)c1=O.
What is the InChIKey of 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione?
The InChIKey is AECUDBPVDYVGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3/c1-18-12-10(13(21)19(2)14(18)22)16-9(11(15)17-12)7-3-5-8(20)6-4-7/h3-6,20H,1-2H3.
What are the key properties of 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione?
7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione has a molecular weight of 363.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(4-hydroxyphenyl)-1,3-dimethylpteridine-2,4-dione is sourced from PubChem (CID 135442652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).