N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide

C11H17N5O4 — CID 58757793

IUPACN-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCC(=O)N(COC)C1=NC(=NC=N1)N(COC)C(=O)C
InChIInChI=1S/C11H17N5O4/c1-8(17)15(6-19-3)10-12-5-13-11(14-10)16(7-20-4)9(2)18/h5H,6-7H2,1-4H3
InChIKeyCTZAMCYNLVTYIS-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.70
Rot. Bonds6

About N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide

N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (PubChem CID 58757793) has the molecular formula C11H17N5O4 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
PubChem CID58757793
Molecular FormulaC11H17N5O4
Molecular Weight283.28 g/mol
Exact Mass283.13
IUPAC NameN-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
SMILESCC(=O)N(COC)C1=NC(=NC=N1)N(COC)C(=O)C
InChIInChI=1S/C11H17N5O4/c1-8(17)15(6-19-3)10-12-5-13-11(14-10)16(7-20-4)9(2)18/h5H,6-7H2,1-4H3
InChIKeyCTZAMCYNLVTYIS-UHFFFAOYSA-N
XLogP-0.70
TPSA97.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity311

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N'-(1,3,5-Triazine-2,4-diyl)bis(N-methylacetamide)
CID 71335755
N-[4-[acetyl(ethyl)amino]-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 85536230
N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 20631259
N-acetyl-N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide
CID 20745580
N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 21356882
N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 23556493
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N-methylacetamide
CID 53985951
N-[3-[acetyl(methoxymethyl)amino]-5-[bis(methoxymethyl)amino]-1,3,5-triazine-1,3,5-triium-1-yl]-N-(methoxymethyl)acetamide
CID 57558621
N-[4-[acetyl(hydroxy)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57558665
N-[4,6-bis[acetyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylacetamide
CID 57802282
N-[4-acetamido-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]acetamide
CID 57873474
N-[4-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 58757792

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The IUPAC name of N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide (CID 58757793) is N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide.
What is the SMILES notation for N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The canonical SMILES for N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is CC(=O)N(COC)C1=NC(=NC=N1)N(COC)C(=O)C.
What is the InChIKey of N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
The InChIKey is CTZAMCYNLVTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-8(17)15(6-19-3)10-12-5-13-11(14-10)16(7-20-4)9(2)18/h5H,6-7H2,1-4H3.
What are the key properties of N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide?
N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide has a molecular weight of 283.28 g/mol, XLogP of -0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide is sourced from PubChem (CID 58757793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).