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

C14H26N6O6 — CID 156601178

IUPACN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
SMILESCOCN(C=O)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C14H26N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h6H,7-11H2,1-5H3
InChIKeyUPFQVJAGBXCQOE-UHFFFAOYSA-N
MW374.40 g/mol
LogP-0.53
Rot. Bonds14

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

N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide (PubChem CID 156601178) has the molecular formula C14H26N6O6 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide.

Molecular Properties

Compound NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
PubChem CID156601178
Molecular FormulaC14H26N6O6
Molecular Weight374.40 g/mol
Exact Mass374.19
IUPAC NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
SMILESCOCN(C=O)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C14H26N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h6H,7-11H2,1-5H3
InChIKeyUPFQVJAGBXCQOE-UHFFFAOYSA-N
XLogP-0.53
TPSA111.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_B(1)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 62479
CID 62479
CID 19596821
CID 19596821
CID 156601173
CID 156601173
CID 156601174
CID 156601174
CID 156601175
CID 156601175
CID 156601176
CID 156601176
CID 156601177
CID 156601177
CID 156601179
CID 156601179
CID 156601180
CID 156601180
CID 375166
CID 375166
CID 629464
CID 629464
CID 19019604
CID 19019604

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide (CID 156601178) is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide.
What is the SMILES notation for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The canonical SMILES for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide is COCN(C=O)c1nc(N(COC)COC)nc(N(COC)COC)n1.
What is the InChIKey of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The InChIKey is UPFQVJAGBXCQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h6H,7-11H2,1-5H3.
What are the key properties of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide has a molecular weight of 374.40 g/mol, XLogP of -0.53, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide is sourced from PubChem (CID 156601178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).