N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide

C15H23N5O4 — CID 122253832

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
SMILESCOc1nc(CNC(=O)C2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N5O4/c1-22-15-18-12(10-16-13(21)11-2-6-23-7-3-11)17-14(19-15)20-4-8-24-9-5-20/h11H,2-10H2,1H3,(H,16,21)
InChIKeyWLKGMBORSLDUAR-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.24
Rot. Bonds5

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide (PubChem CID 122253832) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
PubChem CID122253832
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
SMILESCOc1nc(CNC(=O)C2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23N5O4/c1-22-15-18-12(10-16-13(21)11-2-6-23-7-3-11)17-14(19-15)20-4-8-24-9-5-20/h11H,2-10H2,1H3,(H,16,21)
InChIKeyWLKGMBORSLDUAR-UHFFFAOYSA-N
XLogP-0.24
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide (CID 122253832) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide is COc1nc(CNC(=O)C2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is WLKGMBORSLDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-22-15-18-12(10-16-13(21)11-2-6-23-7-3-11)17-14(19-15)20-4-8-24-9-5-20/h11H,2-10H2,1H3,(H,16,21).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 122253832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).