2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

C12H21N5O2 — CID 122062545

IUPAC2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCc1nc(NC(CC(C)C)C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-7(2)6-9(10(18)19)15-11-13-8(3)14-12(16-11)17(4)5/h7,9H,6H2,1-5H3,(H,18,19)(H,13,14,15,16)
InChIKeyRAJFXWAWEZQBNV-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.16
Rot. Bonds6

About 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (PubChem CID 122062545) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
PubChem CID122062545
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCc1nc(NC(CC(C)C)C(=O)O)nc(N(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-7(2)6-9(10(18)19)15-11-13-8(3)14-12(16-11)17(4)5/h7,9H,6H2,1-5H3,(H,18,19)(H,13,14,15,16)
InChIKeyRAJFXWAWEZQBNV-UHFFFAOYSA-N
XLogP1.16
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]-3-sulfanylpropanoic acid
CID 44545911
(2R)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 122049164
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 122049264
4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
CID 122064193
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 66331276
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
(2S)-2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964503
(2S)-4-methyl-2-[(6-methylsulfanylpyrazin-2-yl)amino]pentanoic acid
CID 122050109
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (CID 122062545) is 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is Cc1nc(NC(CC(C)C)C(=O)O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The InChIKey is RAJFXWAWEZQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7(2)6-9(10(18)19)15-11-13-8(3)14-12(16-11)17(4)5/h7,9H,6H2,1-5H3,(H,18,19)(H,13,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122062545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).