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

C16H29N7O3 — CID 568013

IUPAC6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H29N7O3/c1-24-16-20-14(17-2-4-22-6-10-25-11-7-22)19-15(21-16)18-3-5-23-8-12-26-13-9-23/h2-13H2,1H3,(H2,17,18,19,20,21)
InChIKeyHQDITJANRKSCEN-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.63
Rot. Bonds9

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

6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 568013) has the molecular formula C16H29N7O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID568013
Molecular FormulaC16H29N7O3
Molecular Weight367.45 g/mol
Exact Mass367.23
IUPAC Name6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C16H29N7O3/c1-24-16-20-14(17-2-4-22-6-10-25-11-7-22)19-15(21-16)18-3-5-23-8-12-26-13-9-23/h2-13H2,1H3,(H2,17,18,19,20,21)
InChIKeyHQDITJANRKSCEN-UHFFFAOYSA-N
XLogP-0.63
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 568013) is 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is COc1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HQDITJANRKSCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O3/c1-24-16-20-14(17-2-4-22-6-10-25-11-7-22)19-15(21-16)18-3-5-23-8-12-26-13-9-23/h2-13H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.45 g/mol, XLogP of -0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 568013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).