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

C10H18N6O4 — CID 156601179

IUPACN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
SMILESCOCN(C=O)c1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C10H18N6O4/c1-18-5-15(4-17)9-12-8(11)13-10(14-9)16(6-19-2)7-20-3/h4H,5-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyVASSCAPEVQZJKA-UHFFFAOYSA-N
MW286.29 g/mol
LogP-0.97
Rot. Bonds9

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

N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide (PubChem CID 156601179) has the molecular formula C10H18N6O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide.

Molecular Properties

Compound NameN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
PubChem CID156601179
Molecular FormulaC10H18N6O4
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC NameN-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide
SMILESCOCN(C=O)c1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C10H18N6O4/c1-18-5-15(4-17)9-12-8(11)13-10(14-9)16(6-19-2)7-20-3/h4H,5-7H2,1-3H3,(H2,11,12,13,14)
InChIKeyVASSCAPEVQZJKA-UHFFFAOYSA-N
XLogP-0.97
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The IUPAC name of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide (CID 156601179) is N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide.
What is the SMILES notation for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The canonical SMILES for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide is COCN(C=O)c1nc(N)nc(N(COC)COC)n1.
What is the InChIKey of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
The InChIKey is VASSCAPEVQZJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O4/c1-18-5-15(4-17)9-12-8(11)13-10(14-9)16(6-19-2)7-20-3/h4H,5-7H2,1-3H3,(H2,11,12,13,14).
What are the key properties of N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide?
N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide has a molecular weight of 286.29 g/mol, XLogP of -0.97, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)formamide is sourced from PubChem (CID 156601179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).