(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate

C9H14N4O4 — CID 89459514

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate
SMILESCOc1nc(OC)nc(OC(=O)CN(C)C)n1
InChIInChI=1S/C9H14N4O4/c1-13(2)5-6(14)17-9-11-7(15-3)10-8(12-9)16-4/h5H2,1-4H3
InChIKeyZXLLQBDNPKDRJI-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.64
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate

(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate (PubChem CID 89459514) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate
PubChem CID89459514
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate
SMILESCOc1nc(OC)nc(OC(=O)CN(C)C)n1
InChIInChI=1S/C9H14N4O4/c1-13(2)5-6(14)17-9-11-7(15-3)10-8(12-9)16-4/h5H2,1-4H3
InChIKeyZXLLQBDNPKDRJI-UHFFFAOYSA-N
XLogP-0.64
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(4,6-Bis(dimethylamino)-[1,3,5]triazin-2-yl)(cyano)amino]acetic acid, ethyl ester
CID 3327151
Methyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]acetate
CID 742275
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
[Cyano-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester
CID 654168
Ethyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-methylamino]acetate
CID 46226432
Trimethyl 2,2',2''-[1,3,5-triazine-2,4,6-triyltris(azanediyl)]triacetate
CID 67194763
((4,6-Bis(((acetyloxy)methyl)(methyl)amino)-1,3,5-triazin-2-yl)(methyl)amino)methyl acetate
CID 361182
2-[[4,6-Bis[carboxymethyl(methyl)amino]-1,3,5-triazin-2-yl]-methylamino]acetic acid
CID 14811066
(4,6-Dimethoxy-1,3,5-triazin-2-yl)-(2-ethoxy-2-oxoethyl)-dimethylazanium
CID 58898170
Methyl 2-[[4-amino-6-[(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]amino]acetate
CID 67193115
Methyl 2-[[4,6-bis[bis(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 67194953
2-[[4-[Bis(2-methoxy-2-oxoethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid
CID 71276365

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate (CID 89459514) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate is COc1nc(OC)nc(OC(=O)CN(C)C)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate?
The InChIKey is ZXLLQBDNPKDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-13(2)5-6(14)17-9-11-7(15-3)10-8(12-9)16-4/h5H2,1-4H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate has a molecular weight of 242.23 g/mol, XLogP of -0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) 2-(dimethylamino)acetate is sourced from PubChem (CID 89459514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).