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

C26H23N7O2 — CID 22459642

IUPAC2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCc3ccncc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H23N7O2/c1-34-22-15-20(7-8-21(22)23-16-28-17-35-23)30-26-32-24(19-5-3-2-4-6-19)31-25(33-26)29-14-11-18-9-12-27-13-10-18/h2-10,12-13,15-17H,11,14H2,1H3,(H2,29,30,31,32,33)
InChIKeySFIDYCXEUFCFIB-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-4-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-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22459642) 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-4-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-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID22459642
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-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(Nc2nc(NCCc3ccncc3)nc(-c3ccccc3)n2)ccc1-c1cnco1
InChIInChI=1S/C26H23N7O2/c1-34-22-15-20(7-8-21(22)23-16-28-17-35-23)30-26-32-24(19-5-3-2-4-6-19)31-25(33-26)29-14-11-18-9-12-27-13-10-18/h2-10,12-13,15-17H,11,14H2,1H3,(H2,29,30,31,32,33)
InChIKeySFIDYCXEUFCFIB-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

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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-4-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-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 22459642) is 2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-6-phenyl-4-N-(2-pyridin-4-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-4-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-4-ylethyl)-1,3,5-triazine-2,4-diamine is COc1cc(Nc2nc(NCCc3ccncc3)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-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SFIDYCXEUFCFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-34-22-15-20(7-8-21(22)23-16-28-17-35-23)30-26-32-24(19-5-3-2-4-6-19)31-25(33-26)29-14-11-18-9-12-27-13-10-18/h2-10,12-13,15-17H,11,14H2,1H3,(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-4-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-4-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-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22459642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).