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

C14H27N6O2+ — CID 7410026

IUPAC6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCC[NH+]2CCOCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H26N6O2/c1-4-22-14-18-12(17-13(19-14)16-11(2)3)15-5-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)/p+1
InChIKeyQFMNRYAEUDKHEI-UHFFFAOYSA-O
MW311.41 g/mol
LogP-0.58
Rot. Bonds8

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

6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 7410026) has the molecular formula C14H27N6O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID7410026
Molecular FormulaC14H27N6O2+
Molecular Weight311.41 g/mol
Exact Mass311.22
IUPAC Name6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NCC[NH+]2CCOCC2)nc(NC(C)C)n1
InChIInChI=1S/C14H26N6O2/c1-4-22-14-18-12(17-13(19-14)16-11(2)3)15-5-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)/p+1
InChIKeyQFMNRYAEUDKHEI-UHFFFAOYSA-O
XLogP-0.58
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 7410026) is 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCOc1nc(NCC[NH+]2CCOCC2)nc(NC(C)C)n1.
What is the InChIKey of 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QFMNRYAEUDKHEI-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N6O2/c1-4-22-14-18-12(17-13(19-14)16-11(2)3)15-5-6-20-7-9-21-10-8-20/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19)/p+1.
What are the key properties of 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 311.41 g/mol, XLogP of -0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7410026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).