[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine

C36H34N8O4 — CID 4062729

IUPAC[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)nc(-c3nc(NN)nc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C36H34N8O4/c1-45-25-13-5-21(6-14-25)29-31(23-9-17-27(47-3)18-10-23)39-35(43-37)41-33(29)34-30(22-7-15-26(46-2)16-8-22)32(40-36(42-34)44-38)24-11-19-28(48-4)20-12-24/h5-20H,37-38H2,1-4H3,(H,39,41,43)(H,40,42,44)
InChIKeySJCZYXZDPWKZRT-UHFFFAOYSA-N
MW642.72 g/mol
LogP6.21
Rot. Bonds11

About [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine

[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 4062729) has the molecular formula C36H34N8O4 and a molecular weight of 642.72 g/mol. Its IUPAC name is [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
PubChem CID4062729
Molecular FormulaC36H34N8O4
Molecular Weight642.72 g/mol
Exact Mass642.27
IUPAC Name[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2nc(NN)nc(-c3nc(NN)nc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C36H34N8O4/c1-45-25-13-5-21(6-14-25)29-31(23-9-17-27(47-3)18-10-23)39-35(43-37)41-33(29)34-30(22-7-15-26(46-2)16-8-22)32(40-36(42-34)44-38)24-11-19-28(48-4)20-12-24/h5-20H,37-38H2,1-4H3,(H,39,41,43)(H,40,42,44)
InChIKeySJCZYXZDPWKZRT-UHFFFAOYSA-N
XLogP6.21
TPSA164.58 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.72
LogP ≤ 56.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine (CID 4062729) is [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine is COc1ccc(-c2nc(NN)nc(-c3nc(NN)nc(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is SJCZYXZDPWKZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N8O4/c1-45-25-13-5-21(6-14-25)29-31(23-9-17-27(47-3)18-10-23)39-35(43-37)41-33(29)34-30(22-7-15-26(46-2)16-8-22)32(40-36(42-34)44-38)24-11-19-28(48-4)20-12-24/h5-20H,37-38H2,1-4H3,(H,39,41,43)(H,40,42,44).
What are the key properties of [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine?
[4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 642.72 g/mol, XLogP of 6.21, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-hydrazinyl-5,6-bis(4-methoxyphenyl)pyrimidin-4-yl]-5,6-bis(4-methoxyphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 4062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).