6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C18H26N6O2 — CID 1109291

IUPAC6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-3-26-18-22-16(19-8-9-24-10-12-25-13-11-24)21-17(23-18)20-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyHLHCSZCIZIVIAP-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.07
Rot. Bonds8

About 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1109291) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1109291
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C18H26N6O2/c1-3-26-18-22-16(19-8-9-24-10-12-25-13-11-24)21-17(23-18)20-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyHLHCSZCIZIVIAP-UHFFFAOYSA-N
XLogP2.07
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 1109291) is 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HLHCSZCIZIVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-26-18-22-16(19-8-9-24-10-12-25-13-11-24)21-17(23-18)20-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(4-methylphenyl)-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1109291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).