2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide

C10H18N6O2 — CID 114133403

IUPAC2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCOc1nc(N)nc(NCC(=O)N(C)CC)n1
InChIInChI=1S/C10H18N6O2/c1-4-16(3)7(17)6-12-9-13-8(11)14-10(15-9)18-5-2/h4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyNBZCIJDMYJMGJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.26
Rot. Bonds6

About 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide

2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 114133403) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID114133403
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCOc1nc(N)nc(NCC(=O)N(C)CC)n1
InChIInChI=1S/C10H18N6O2/c1-4-16(3)7(17)6-12-9-13-8(11)14-10(15-9)18-5-2/h4-6H2,1-3H3,(H3,11,12,13,14,15)
InChIKeyNBZCIJDMYJMGJV-UHFFFAOYSA-N
XLogP-0.26
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide (CID 114133403) is 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide is CCOc1nc(N)nc(NCC(=O)N(C)CC)n1.
What is the InChIKey of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is NBZCIJDMYJMGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-4-16(3)7(17)6-12-9-13-8(11)14-10(15-9)18-5-2/h4-6H2,1-3H3,(H3,11,12,13,14,15).
What are the key properties of 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide?
2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 254.29 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114133403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).