2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine

C26H23N7O2 — CID 10412176

IUPAC2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCc3cccnc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H23N7O2/c1-34-22-14-20(9-10-21(22)23-16-28-17-35-23)30-26-32-24(19-7-3-2-4-8-19)31-25(33-26)29-13-11-18-6-5-12-27-15-18/h2-10,12,14-17H,11,13H2,1H3,(H2,29,30,31,32,33)
InChIKeyFVDVIWFUMKDFEB-UHFFFAOYSA-N
MW465.52 g/mol
LogP5.00
Rot. Bonds9

About 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine

2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10412176) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID10412176
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCc3cccnc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H23N7O2/c1-34-22-14-20(9-10-21(22)23-16-28-17-35-23)30-26-32-24(19-7-3-2-4-8-19)31-25(33-26)29-13-11-18-6-5-12-27-15-18/h2-10,12,14-17H,11,13H2,1H3,(H2,29,30,31,32,33)
InChIKeyFVDVIWFUMKDFEB-UHFFFAOYSA-N
XLogP5.00
TPSA110.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine (CID 10412176) is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2nc(NCCc3cccnc3)nc(-c3ccccc3)n2)ccc1-c1cnco1.
What is the InChIKey of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FVDVIWFUMKDFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-34-22-14-20(9-10-21(22)23-16-28-17-35-23)30-26-32-24(19-7-3-2-4-8-19)31-25(33-26)29-13-11-18-6-5-12-27-15-18/h2-10,12,14-17H,11,13H2,1H3,(H2,29,30,31,32,33).
What are the key properties of 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 465.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-3-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10412176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).