2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C18H26N6O3 — CID 652345

IUPAC2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1
InChIInChI=1S/C18H26N6O3/c1-3-27-15-6-4-14(5-7-15)20-17-21-16(22-18(23-17)25-2)19-8-9-24-10-12-26-13-11-24/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYDSSNPNKZHQDHD-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.77
Rot. Bonds9

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

2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 652345) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID652345
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1
InChIInChI=1S/C18H26N6O3/c1-3-27-15-6-4-14(5-7-15)20-17-21-16(22-18(23-17)25-2)19-8-9-24-10-12-26-13-11-24/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYDSSNPNKZHQDHD-UHFFFAOYSA-N
XLogP1.77
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 942531
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CID 3634041
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CID 23191
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CID 23648021
CID 23648021
CID 23648023
CID 23648023
CID 23648025
CID 23648025
CID 23648026
CID 23648026
CID 944935
CID 944935
CID 2950845
CID 2950845
CID 651619
CID 651619
CID 1088062
CID 1088062

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 652345) is 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YDSSNPNKZHQDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-3-27-15-6-4-14(5-7-15)20-17-21-16(22-18(23-17)25-2)19-8-9-24-10-12-26-13-11-24/h4-7H,3,8-13H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 374.45 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-6-methoxy-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 652345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).