2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

C22H26N6O2 — CID 42477738

IUPAC2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCCc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-29-19-9-7-18(8-10-19)24-21-25-20(23-12-11-17-5-3-2-4-6-17)26-22(27-21)28-13-15-30-16-14-28/h2-10H,11-16H2,1H3,(H2,23,24,25,26,27)
InChIKeySFLMTPHHNMSVRP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.12
Rot. Bonds8

About 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine

2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 42477738) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID42477738
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NCCc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-29-19-9-7-18(8-10-19)24-21-25-20(23-12-11-17-5-3-2-4-6-17)26-22(27-21)28-13-15-30-16-14-28/h2-10H,11-16H2,1H3,(H2,23,24,25,26,27)
InChIKeySFLMTPHHNMSVRP-UHFFFAOYSA-N
XLogP3.12
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine (CID 42477738) is 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(NCCc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SFLMTPHHNMSVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-29-19-9-7-18(8-10-19)24-21-25-20(23-12-11-17-5-3-2-4-6-17)26-22(27-21)28-13-15-30-16-14-28/h2-10H,11-16H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 406.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42477738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).