N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide

C13H16N4O4 — CID 121137429

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(C)oc2C)nc(OC)n1
InChIInChI=1S/C13H16N4O4/c1-7-5-9(8(2)21-7)11(18)14-6-10-15-12(19-3)17-13(16-10)20-4/h5H,6H2,1-4H3,(H,14,18)
InChIKeyFHVLWEXSZGYXGL-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.03
Rot. Bonds5

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 121137429) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID121137429
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(C)oc2C)nc(OC)n1
InChIInChI=1S/C13H16N4O4/c1-7-5-9(8(2)21-7)11(18)14-6-10-15-12(19-3)17-13(16-10)20-4/h5H,6H2,1-4H3,(H,14,18)
InChIKeyFHVLWEXSZGYXGL-UHFFFAOYSA-N
XLogP1.03
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
N-(2-methoxypyrimidin-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 122301541
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137973
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
CID 83093523
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47301051
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide
CID 122252725
4-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 844983
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 75537694

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide (CID 121137429) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide is COc1nc(CNC(=O)c2cc(C)oc2C)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FHVLWEXSZGYXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-7-5-9(8(2)21-7)11(18)14-6-10-15-12(19-3)17-13(16-10)20-4/h5H,6H2,1-4H3,(H,14,18).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 121137429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).