N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide

C11H18N6O5 — CID 156601180

IUPACN-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide
SMILESCOCNc1nc(N(C=O)C=O)nc(N(COC)COC)n1
InChIInChI=1S/C11H18N6O5/c1-20-4-12-9-13-10(16(5-18)6-19)15-11(14-9)17(7-21-2)8-22-3/h5-6H,4,7-8H2,1-3H3,(H,12,13,14,15)
InChIKeyZEDNIDNOYZSSMO-UHFFFAOYSA-N
MW314.30 g/mol
LogP-0.98
Rot. Bonds11

About N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide

N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide (PubChem CID 156601180) has the molecular formula C11H18N6O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide.

Molecular Properties

Compound NameN-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide
PubChem CID156601180
Molecular FormulaC11H18N6O5
Molecular Weight314.30 g/mol
Exact Mass314.13
IUPAC NameN-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide
SMILESCOCNc1nc(N(C=O)C=O)nc(N(COC)COC)n1
InChIInChI=1S/C11H18N6O5/c1-20-4-12-9-13-10(16(5-18)6-19)15-11(14-9)17(7-21-2)8-22-3/h5-6H,4,7-8H2,1-3H3,(H,12,13,14,15)
InChIKeyZEDNIDNOYZSSMO-UHFFFAOYSA-N
XLogP-0.98
TPSA119.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

Pentakis(methoxymethyl)melamine
CID 18785363
TriMMM
CID 20067384
Hmmm TP339
CID 156601173
Hmmm TP325
CID 156601174
Hmmm TP243
CID 156601176
Hmmm TP353
CID 156601177
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
N~2~,N~2~,N~4~,N~6~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 18785360

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide?
The IUPAC name of N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide (CID 156601180) is N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide.
What is the SMILES notation for N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide?
The canonical SMILES for N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide is COCNc1nc(N(C=O)C=O)nc(N(COC)COC)n1.
What is the InChIKey of N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide?
The InChIKey is ZEDNIDNOYZSSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O5/c1-20-4-12-9-13-10(16(5-18)6-19)15-11(14-9)17(7-21-2)8-22-3/h5-6H,4,7-8H2,1-3H3,(H,12,13,14,15).
What are the key properties of N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide?
N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide has a molecular weight of 314.30 g/mol, XLogP of -0.98, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(methoxymethyl)amino]-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-N-formylformamide is sourced from PubChem (CID 156601180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).