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

C10H18N6O5 — CID 156601174

IUPACN-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(NC=O)nc(N(CO)CO)n1
InChIInChI=1S/C10H18N6O5/c1-20-6-16(7-21-2)10-13-8(11-3-17)12-9(14-10)15(4-18)5-19/h3,18-19H,4-7H2,1-2H3,(H,11,12,13,14,17)
InChIKeyFEWJLIJJJNSFNR-UHFFFAOYSA-N
MW302.29 g/mol
LogP-1.84
Rot. Bonds10

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

N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (PubChem CID 156601174) has the molecular formula C10H18N6O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
PubChem CID156601174
Molecular FormulaC10H18N6O5
Molecular Weight302.29 g/mol
Exact Mass302.13
IUPAC NameN-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide
SMILESCOCN(COC)c1nc(NC=O)nc(N(CO)CO)n1
InChIInChI=1S/C10H18N6O5/c1-20-6-16(7-21-2)10-13-8(11-3-17)12-9(14-10)15(4-18)5-19/h3,18-19H,4-7H2,1-2H3,(H,11,12,13,14,17)
InChIKeyFEWJLIJJJNSFNR-UHFFFAOYSA-N
XLogP-1.84
TPSA133.17 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
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
Hmmm TP311
CID 20463987
Hmmm TP245
CID 53965793
Hmmm TP339
CID 156601173
Hmmm TP383
CID 156601175
Hmmm TP243
CID 156601176
Hmmm TP353
CID 156601177
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Hmmm TP315
CID 156601180
[[6-[(Hydroxymethyl)amino]-1,3,5-triazine-2,4-diyl]dinitrilo]tetrakismethanol
CID 83347
CB-7646
CID 10198476

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide (CID 156601174) is N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide is COCN(COC)c1nc(NC=O)nc(N(CO)CO)n1.
What is the InChIKey of N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
The InChIKey is FEWJLIJJJNSFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O5/c1-20-6-16(7-21-2)10-13-8(11-3-17)12-9(14-10)15(4-18)5-19/h3,18-19H,4-7H2,1-2H3,(H,11,12,13,14,17).
What are the key properties of N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide?
N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide has a molecular weight of 302.29 g/mol, XLogP of -1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(hydroxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 156601174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).