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

C9H12Cl2N4O2 — CID 138687849

IUPAC2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O2/c1-9(2,3)15(4-5(16)17)8-13-6(10)12-7(11)14-8/h4H2,1-3H3,(H,16,17)
InChIKeyZUKCXLKHGWWKFG-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.87
Rot. Bonds3

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

2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 138687849) has the molecular formula C9H12Cl2N4O2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID138687849
Molecular FormulaC9H12Cl2N4O2
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC Name2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O2/c1-9(2,3)15(4-5(16)17)8-13-6(10)12-7(11)14-8/h4H2,1-3H3,(H,16,17)
InChIKeyZUKCXLKHGWWKFG-UHFFFAOYSA-N
XLogP1.87
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl-(4-cyano-6-methylpyrimidin-2-yl)amino]acetic acid
CID 107543072
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
2-[tert-butyl-(3-methylquinoxalin-2-yl)amino]acetic acid
CID 79269083
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[tert-butyl-(6-propoxypyrazin-2-yl)amino]acetic acid
CID 79268920
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
CID 3489053
2-(N-tert-butyl-3-chloro-2-cyanoanilino)acetic acid
CID 79269086
2-(6-tert-butyl-2-chloropyrimidin-4-yl)acetic acid
CID 83852529
2-[[4-[bis(carboxymethyl)amino]-6-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-[[4-[bis(carboxymethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-(carboxymethyl)amino]acetic acid;2-(carboxymethylamino)acetic acid;pentanedioic acid;2,4,6-trichloro-1,3,5-triazine;tridecakis(yttrium)
CID 159567815
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-propylamino]-N,N-dimethylacetamide
CID 62868725
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
2-[tert-butyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 79268738

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid (CID 138687849) is 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid is CC(C)(C)N(CC(=O)O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is ZUKCXLKHGWWKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O2/c1-9(2,3)15(4-5(16)17)8-13-6(10)12-7(11)14-8/h4H2,1-3H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 279.13 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 138687849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).