butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

C12H20N4O6 — CID 57351107

IUPACbutanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCc1nc(NCCO)nc(OC)n1.O=C(O)CCC(=O)O
InChIInChI=1S/C8H14N4O2.C4H6O4/c1-3-6-10-7(9-4-5-13)12-8(11-6)14-2;5-3(6)1-2-4(7)8/h13H,3-5H2,1-2H3,(H,9,10,11,12);1-2H2,(H,5,6)(H,7,8)
InChIKeyPGLSQTXLEJIQIA-UHFFFAOYSA-N
MW316.31 g/mol
LogP-0.22
Rot. Bonds8

About butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol

butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 57351107) has the molecular formula C12H20N4O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Namebutanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID57351107
Molecular FormulaC12H20N4O6
Molecular Weight316.31 g/mol
Exact Mass316.14
IUPAC Namebutanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol
SMILESCCc1nc(NCCO)nc(OC)n1.O=C(O)CCC(=O)O
InChIInChI=1S/C8H14N4O2.C4H6O4/c1-3-6-10-7(9-4-5-13)12-8(11-6)14-2;5-3(6)1-2-4(7)8/h13H,3-5H2,1-2H3,(H,9,10,11,12);1-2H2,(H,5,6)(H,7,8)
InChIKeyPGLSQTXLEJIQIA-UHFFFAOYSA-N
XLogP-0.22
TPSA154.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Butanedioic acid, mono(2-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methylamino)ethyl)ester
CID 47296
ethanol, 2-((4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino)-, butanedioate (2:1) (salt)
CID 3044739
2-[(4,6-Dimethyl-1,3,5-triazin-2-yl)amino]butanedioic acid
CID 145596702
3-[[4-[2-Hydroxyethyl(propyl)amino]-6-methyl-1,3,5-triazin-2-yl]amino]propanoic acid
CID 163594715
2-[[4,6-Bis(diethylamino)-1,3,5-triazin-2-yl]methylamino]ethanol;butanedioate
CID 23622131

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol (CID 57351107) is butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is CCc1nc(NCCO)nc(OC)n1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is PGLSQTXLEJIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.C4H6O4/c1-3-6-10-7(9-4-5-13)12-8(11-6)14-2;5-3(6)1-2-4(7)8/h13H,3-5H2,1-2H3,(H,9,10,11,12);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol?
butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 316.31 g/mol, XLogP of -0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-[(4-ethyl-6-methoxy-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 57351107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).