2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol

C25H28N4O3 — CID 46850257

IUPAC2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol
SMILESCOc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1
InChIInChI=1S/C25H28N4O3/c1-28(2)21-12-8-17(14-23(21)30)6-10-19-16-20(27-25(26-19)32-5)11-7-18-9-13-22(29(3)4)24(31)15-18/h6-16,30-31H,1-5H3/b10-6+,11-7+
InChIKeyHWRYPZRILIVNCE-JMQWPVDRSA-N
MW432.52 g/mol
LogP4.37
Rot. Bonds7

About 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol

2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol (PubChem CID 46850257) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol
PubChem CID46850257
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol
SMILESCOc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1
InChIInChI=1S/C25H28N4O3/c1-28(2)21-12-8-17(14-23(21)30)6-10-19-16-20(27-25(26-19)32-5)11-7-18-9-13-22(29(3)4)24(31)15-18/h6-16,30-31H,1-5H3/b10-6+,11-7+
InChIKeyHWRYPZRILIVNCE-JMQWPVDRSA-N
XLogP4.37
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol?
The IUPAC name of 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol (CID 46850257) is 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol.
What is the SMILES notation for 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol?
The canonical SMILES for 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol is COc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1.
What is the InChIKey of 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol?
The InChIKey is HWRYPZRILIVNCE-JMQWPVDRSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28(2)21-12-8-17(14-23(21)30)6-10-19-16-20(27-25(26-19)32-5)11-7-18-9-13-22(29(3)4)24(31)15-18/h6-16,30-31H,1-5H3/b10-6+,11-7+.
What are the key properties of 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol?
2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol has a molecular weight of 432.52 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(E)-2-[6-[(E)-2-[4-(dimethylamino)-3-hydroxyphenyl]ethenyl]-2-methoxypyrimidin-4-yl]ethenyl]phenol is sourced from PubChem (CID 46850257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).