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

C15H20N6O2 — CID 651619

IUPAC2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1
InChIInChI=1S/C15H20N6O2/c1-22-12-4-2-11(3-5-12)17-15-19-13(18-14(16)20-15)10-21-6-8-23-9-7-21/h2-5H,6-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyOYXBTROOZNGONX-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.04
Rot. Bonds5

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

2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 651619) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID651619
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1
InChIInChI=1S/C15H20N6O2/c1-22-12-4-2-11(3-5-12)17-15-19-13(18-14(16)20-15)10-21-6-8-23-9-7-21/h2-5H,6-10H2,1H3,(H3,16,17,18,19,20)
InChIKeyOYXBTROOZNGONX-UHFFFAOYSA-N
XLogP1.04
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.04
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-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 651619) is 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OYXBTROOZNGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-22-12-4-2-11(3-5-12)17-15-19-13(18-14(16)20-15)10-21-6-8-23-9-7-21/h2-5H,6-10H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-methoxyphenyl)-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 316.37 g/mol, XLogP of 1.04, 5 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-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 651619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).