1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol

C10H19N5O3 — CID 67518530

IUPAC1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOCNc1nc(C)nc(N(COC)C(C)O)n1
InChIInChI=1S/C10H19N5O3/c1-7-12-9(11-5-17-3)14-10(13-7)15(6-18-4)8(2)16/h8,16H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyNVSAKLGZHNBCNY-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.06
Rot. Bonds7

About 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol

1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 67518530) has the molecular formula C10H19N5O3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID67518530
Molecular FormulaC10H19N5O3
Molecular Weight257.29 g/mol
Exact Mass257.15
IUPAC Name1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOCNc1nc(C)nc(N(COC)C(C)O)n1
InChIInChI=1S/C10H19N5O3/c1-7-12-9(11-5-17-3)14-10(13-7)15(6-18-4)8(2)16/h8,16H,5-6H2,1-4H3,(H,11,12,13,14)
InChIKeyNVSAKLGZHNBCNY-UHFFFAOYSA-N
XLogP-0.06
TPSA92.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol (CID 67518530) is 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol is COCNc1nc(C)nc(N(COC)C(C)O)n1.
What is the InChIKey of 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is NVSAKLGZHNBCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3/c1-7-12-9(11-5-17-3)14-10(13-7)15(6-18-4)8(2)16/h8,16H,5-6H2,1-4H3,(H,11,12,13,14).
What are the key properties of 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol?
1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 257.29 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxymethyl-[4-(methoxymethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 67518530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).