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

C19H20N6O2 — CID 14064847

IUPAC2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCc1cccc(Nc2nc(NCC(=O)O)nc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C19H20N6O2/c1-12-5-3-7-14(9-12)21-18-23-17(20-11-16(26)27)24-19(25-18)22-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25)
InChIKeyCSXYJEWFOBNIDX-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.47
Rot. Bonds7

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

2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 14064847) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID14064847
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCc1cccc(Nc2nc(NCC(=O)O)nc(Nc3cccc(C)c3)n2)c1
InChIInChI=1S/C19H20N6O2/c1-12-5-3-7-14(9-12)21-18-23-17(20-11-16(26)27)24-19(25-18)22-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25)
InChIKeyCSXYJEWFOBNIDX-UHFFFAOYSA-N
XLogP3.47
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid with MolForge

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Related Compounds

1-[4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-1-one
CID 143609419
2-N-(2-methylphenyl)-4-N-(3-methylphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 59798777
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 21371554
4,6-difluoro-N-(3-methylphenyl)pyrimidin-2-amine
CID 613301
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 71163222
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 14064847) is 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid is Cc1cccc(Nc2nc(NCC(=O)O)nc(Nc3cccc(C)c3)n2)c1.
What is the InChIKey of 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is CSXYJEWFOBNIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-5-3-7-14(9-12)21-18-23-17(20-11-16(26)27)24-19(25-18)22-15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25).
What are the key properties of 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 364.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 14064847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).