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

C13H21N5O3 — CID 121137745

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide
SMILESCOc1nc(CNC(=O)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21N5O3/c1-9(2)11(19)14-8-10-15-12(17-13(16-10)20-3)18-4-6-21-7-5-18/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyXKPMPMFCEQBGJT-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.01
Rot. Bonds5

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

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide (PubChem CID 121137745) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide
PubChem CID121137745
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide
SMILESCOc1nc(CNC(=O)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21N5O3/c1-9(2)11(19)14-8-10-15-12(17-13(16-10)20-3)18-4-6-21-7-5-18/h9H,4-8H2,1-3H3,(H,14,19)
InChIKeyXKPMPMFCEQBGJT-UHFFFAOYSA-N
XLogP-0.01
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide with MolForge

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Related Compounds

4-(Tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxamide
CID 665366
Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080135
Propanamide, 2-methyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080139
Propanamide, N,2-dimethyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080141
Propanoic acid, 2-methyl-, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)ethyl ester
CID 3080159
Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-, monohydrochloride
CID 3080434
3,3,3-trifluoro-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137801
N-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121138114
3,3,3-trifluoro-N-((4-morpholino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 122255129
1,3,5-Triazine,A-26
CID 101948285
4-(Ethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
CID 755876
4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)methyl]morpholin-4-ium chloride
CID 87303080

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide (CID 121137745) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide is COc1nc(CNC(=O)C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide?
The InChIKey is XKPMPMFCEQBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-9(2)11(19)14-8-10-15-12(17-13(16-10)20-3)18-4-6-21-7-5-18/h9H,4-8H2,1-3H3,(H,14,19).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-2-methylpropanamide has a molecular weight of 295.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-2-methylpropanamide is sourced from PubChem (CID 121137745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).