methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate

C9H14N6O4 — CID 67193115

IUPACmethyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(N)nc(NCC(=O)OC)n1
InChIInChI=1S/C9H14N6O4/c1-18-5(16)3-11-8-13-7(10)14-9(15-8)12-4-6(17)19-2/h3-4H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyBGJUXAKIUXTDDD-UHFFFAOYSA-N
MW270.25 g/mol
LogP-1.38
Rot. Bonds6

About methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate

methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 67193115) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID67193115
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Namemethyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(N)nc(NCC(=O)OC)n1
InChIInChI=1S/C9H14N6O4/c1-18-5(16)3-11-8-13-7(10)14-9(15-8)12-4-6(17)19-2/h3-4H2,1-2H3,(H4,10,11,12,13,14,15)
InChIKeyBGJUXAKIUXTDDD-UHFFFAOYSA-N
XLogP-1.38
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 67193115) is methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate is COC(=O)CNc1nc(N)nc(NCC(=O)OC)n1.
What is the InChIKey of methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is BGJUXAKIUXTDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-18-5(16)3-11-8-13-7(10)14-9(15-8)12-4-6(17)19-2/h3-4H2,1-2H3,(H4,10,11,12,13,14,15).
What are the key properties of methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 270.25 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 67193115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).