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

C13H23N7O — CID 80803185

IUPAC6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N7O/c14-11-16-12(15-3-6-19-4-1-2-5-19)18-13(17-11)20-7-9-21-10-8-20/h1-10H2,(H3,14,15,16,17,18)
InChIKeyJTLIADAFOGPXAY-UHFFFAOYSA-N
MW293.38 g/mol
LogP-0.20
Rot. Bonds5

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

6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80803185) has the molecular formula C13H23N7O and a molecular weight of 293.38 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80803185
Molecular FormulaC13H23N7O
Molecular Weight293.38 g/mol
Exact Mass293.20
IUPAC Name6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N7O/c14-11-16-12(15-3-6-19-4-1-2-5-19)18-13(17-11)20-7-9-21-10-8-20/h1-10H2,(H3,14,15,16,17,18)
InChIKeyJTLIADAFOGPXAY-UHFFFAOYSA-N
XLogP-0.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80803185) is 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCN2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JTLIADAFOGPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7O/c14-11-16-12(15-3-6-19-4-1-2-5-19)18-13(17-11)20-7-9-21-10-8-20/h1-10H2,(H3,14,15,16,17,18).
What are the key properties of 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.38 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80803185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).