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

C18H26N6O10 — CID 67192559

IUPACmethyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(N(CC(=O)OC)CC(=O)OC)nc(N(CC(=O)OC)CC(=O)OC)n1
InChIInChI=1S/C18H26N6O10/c1-30-11(25)6-19-16-20-17(23(7-12(26)31-2)8-13(27)32-3)22-18(21-16)24(9-14(28)33-4)10-15(29)34-5/h6-10H2,1-5H3,(H,19,20,21,22)
InChIKeyHLEWZQQPBSSMRB-UHFFFAOYSA-N
MW486.44 g/mol
LogP-2.24
Rot. Bonds13

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

methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 67192559) has the molecular formula C18H26N6O10 and a molecular weight of 486.44 g/mol. Its IUPAC name is methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
PubChem CID67192559
Molecular FormulaC18H26N6O10
Molecular Weight486.44 g/mol
Exact Mass486.17
IUPAC Namemethyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(N(CC(=O)OC)CC(=O)OC)nc(N(CC(=O)OC)CC(=O)OC)n1
InChIInChI=1S/C18H26N6O10/c1-30-11(25)6-19-16-20-17(23(7-12(26)31-2)8-13(27)32-3)22-18(21-16)24(9-14(28)33-4)10-15(29)34-5/h6-10H2,1-5H3,(H,19,20,21,22)
InChIKeyHLEWZQQPBSSMRB-UHFFFAOYSA-N
XLogP-2.24
TPSA188.68 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.44
LogP ≤ 5-2.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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

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Related Compounds

Methyl [[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]acetate
CID 826236
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
Methyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]acetate
CID 742275
ethyl N-[4-(cyanomethoxy)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]glycinate
CID 3237040
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
methyl 2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)acetate
CID 753811
[Cyano-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 654168
[Cyano-(4-isopropylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 785950
2-({4-[(Carboxymethyl)amino]-6-(diethylamino)-1,3,5-triazin-2-YL}amino)acetic acid
CID 714181
2,2'-((6-Ethoxy-1,3,5-triazine-2,4-diyl)bis(azanediyl))diacetic acid
CID 1878712
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 54314700
Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]triacetate
CID 67194763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate (CID 67192559) is methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate is COC(=O)CNc1nc(N(CC(=O)OC)CC(=O)OC)nc(N(CC(=O)OC)CC(=O)OC)n1.
What is the InChIKey of methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is HLEWZQQPBSSMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O10/c1-30-11(25)6-19-16-20-17(23(7-12(26)31-2)8-13(27)32-3)22-18(21-16)24(9-14(28)33-4)10-15(29)34-5/h6-10H2,1-5H3,(H,19,20,21,22).
What are the key properties of methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate?
methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 486.44 g/mol, XLogP of -2.24, 13 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 67192559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).