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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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).