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

C12H22N6O5 — CID 156601177

IUPACN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(NC=O)nc(N(COC)COC)n1
InChIInChI=1S/C12H22N6O5/c1-20-6-17(7-21-2)11-14-10(13-5-19)15-12(16-11)18(8-22-3)9-23-4/h5H,6-9H2,1-4H3,(H,13,14,15,16,19)
InChIKeyTXFCZCYWLIIXLR-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.53
Rot. Bonds12

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

N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (PubChem CID 156601177) has the molecular formula C12H22N6O5 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
PubChem CID156601177
Molecular FormulaC12H22N6O5
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC NameN-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(NC=O)nc(N(COC)COC)n1
InChIInChI=1S/C12H22N6O5/c1-20-6-17(7-21-2)11-14-10(13-5-19)15-12(16-11)18(8-22-3)9-23-4/h5H,6-9H2,1-4H3,(H,13,14,15,16,19)
InChIKeyTXFCZCYWLIIXLR-UHFFFAOYSA-N
XLogP-0.53
TPSA111.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.53
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

N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
Pentakis(methoxymethyl)melamine
CID 18785363
N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19596821
TriMMM
CID 20067384
Hmmm TP339
CID 156601173
Hmmm TP325
CID 156601174
Hmmm TP383
CID 156601175
Hmmm TP243
CID 156601176
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Hmmm TP315
CID 156601180
formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine;urea
CID 6455508

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (CID 156601177) is N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide is COCN(COC)c1nc(NC=O)nc(N(COC)COC)n1.
What is the InChIKey of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The InChIKey is TXFCZCYWLIIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O5/c1-20-6-17(7-21-2)11-14-10(13-5-19)15-12(16-11)18(8-22-3)9-23-4/h5H,6-9H2,1-4H3,(H,13,14,15,16,19).
What are the key properties of N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
N-[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide has a molecular weight of 330.35 g/mol, XLogP of -0.53, 12 rotatable bonds, 1 hydrogen bond donors, and 10 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]formamide is sourced from PubChem (CID 156601177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).