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

C24H26N4O2 — CID 135937129

IUPAC2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cc(/C=C/c3ccc(O)c(N(C)C)c3)ncn2)ccc1O
InChIInChI=1S/C24H26N4O2/c1-27(2)21-13-17(7-11-23(21)29)5-9-19-15-20(26-16-25-19)10-6-18-8-12-24(30)22(14-18)28(3)4/h5-16,29-30H,1-4H3/b9-5+,10-6+
InChIKeyXKMKSONISLTTHV-NXZHAISVSA-N
MW402.50 g/mol
LogP4.36
Rot. Bonds6

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

2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol (PubChem CID 135937129) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol
PubChem CID135937129
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol
SMILESCN(C)c1cc(/C=C/c2cc(/C=C/c3ccc(O)c(N(C)C)c3)ncn2)ccc1O
InChIInChI=1S/C24H26N4O2/c1-27(2)21-13-17(7-11-23(21)29)5-9-19-15-20(26-16-25-19)10-6-18-8-12-24(30)22(14-18)28(3)4/h5-16,29-30H,1-4H3/b9-5+,10-6+
InChIKeyXKMKSONISLTTHV-NXZHAISVSA-N
XLogP4.36
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The IUPAC name of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol (CID 135937129) is 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol.
What is the SMILES notation for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The canonical SMILES for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol is CN(C)c1cc(/C=C/c2cc(/C=C/c3ccc(O)c(N(C)C)c3)ncn2)ccc1O.
What is the InChIKey of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol?
The InChIKey is XKMKSONISLTTHV-NXZHAISVSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27(2)21-13-17(7-11-23(21)29)5-9-19-15-20(26-16-25-19)10-6-18-8-12-24(30)22(14-18)28(3)4/h5-16,29-30H,1-4H3/b9-5+,10-6+.
What are the key properties of 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol?
2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol has a molecular weight of 402.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[(E)-2-[6-[(E)-2-[3-(dimethylamino)-4-hydroxyphenyl]ethenyl]pyrimidin-4-yl]ethenyl]phenol is sourced from PubChem (CID 135937129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).