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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Related Compounds

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]acetamide
CID 80932009
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
N-ethyl-N-methyl-2-(pyrimidin-2-ylamino)acetamide
CID 104925715
2-[(5-chloropyrimidin-2-yl)amino]-N-ethyl-N-methylacetamide
CID 104925668
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 83117873
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665

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).