2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid

C7H10N4O4 — CID 14670858

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCOc1nc(NCC(=O)O)nc(OC)n1
InChIInChI=1S/C7H10N4O4/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11)
InChIKeyUBZCDHDFCBCZHG-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.61
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 14670858) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID14670858
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCOc1nc(NCC(=O)O)nc(OC)n1
InChIInChI=1S/C7H10N4O4/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11)
InChIKeyUBZCDHDFCBCZHG-UHFFFAOYSA-N
XLogP-0.61
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-, diethyl ester
CID 96521
2-[(4,6-Diamino-1,3,5-triazin-2-yl)amino]propanoic acid
CID 91619743
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-
CID 23007
methyl N-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]glycinate
CID 935000
Proglinazine
CID 14621415
Eglinazine
CID 109865
Eglinazine-ethyl
CID 81091
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
1,3,5-Triazine-2,4,6-triyltrisglycine
CID 17802206
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 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid (CID 14670858) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid is COc1nc(NCC(=O)O)nc(OC)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is UBZCDHDFCBCZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11).
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 214.18 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 14670858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).