4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

C14H18N6O2 — CID 171982985

IUPAC4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H18N6O2/c1-21-14-18-12(16-10-11-3-2-4-15-9-11)17-13(19-14)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,16,17,18,19)
InChIKeyYGBSJBLXMJRIDC-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.72
Rot. Bonds5

About 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 171982985) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID171982985
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H18N6O2/c1-21-14-18-12(16-10-11-3-2-4-15-9-11)17-13(19-14)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,16,17,18,19)
InChIKeyYGBSJBLXMJRIDC-UHFFFAOYSA-N
XLogP0.72
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (CID 171982985) is 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is COc1nc(NCc2cccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is YGBSJBLXMJRIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-21-14-18-12(16-10-11-3-2-4-15-9-11)17-13(19-14)20-5-7-22-8-6-20/h2-4,9H,5-8,10H2,1H3,(H,16,17,18,19).
What are the key properties of 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171982985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).