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

C11H18N4O3 — CID 121137374

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1nc(CNC(=O)C(C)(C)C)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)8(16)12-6-7-13-9(17-4)15-10(14-7)18-5/h6H2,1-5H3,(H,12,16)
InChIKeyHISPSUCTFTXSCY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.55
Rot. Bonds4

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

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 121137374) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID121137374
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCOc1nc(CNC(=O)C(C)(C)C)nc(OC)n1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)8(16)12-6-7-13-9(17-4)15-10(14-7)18-5/h6H2,1-5H3,(H,12,16)
InChIKeyHISPSUCTFTXSCY-UHFFFAOYSA-N
XLogP0.55
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide (CID 121137374) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide is COc1nc(CNC(=O)C(C)(C)C)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is HISPSUCTFTXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)8(16)12-6-7-13-9(17-4)15-10(14-7)18-5/h6H2,1-5H3,(H,12,16).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 254.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121137374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).