4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H17N5O2 — CID 80866604

IUPAC4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cccc(Oc2nc(N)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H17N5O2/c1-10-3-2-4-11(9-10)21-14-17-12(15)16-13(18-14)19-5-7-20-8-6-19/h2-4,9H,5-8H2,1H3,(H2,15,16,17,18)
InChIKeyYLSFMFURUKOENY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.39
Rot. Bonds3

About 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80866604) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80866604
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cccc(Oc2nc(N)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C14H17N5O2/c1-10-3-2-4-11(9-10)21-14-17-12(15)16-13(18-14)19-5-7-20-8-6-19/h2-4,9H,5-8H2,1H3,(H2,15,16,17,18)
InChIKeyYLSFMFURUKOENY-UHFFFAOYSA-N
XLogP1.39
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80866604) is 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1cccc(Oc2nc(N)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YLSFMFURUKOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-3-2-4-11(9-10)21-14-17-12(15)16-13(18-14)19-5-7-20-8-6-19/h2-4,9H,5-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).