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

C17H23N5O2 — CID 122064193

IUPAC4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
SMILESCc1nc(NC(CCC(=O)O)Cc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-12-18-16(21-17(19-12)22(2)3)20-14(9-10-15(23)24)11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,23,24)(H,18,19,20,21)
InChIKeyLCKXTVQRBWQLFW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.13
Rot. Bonds8

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

4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid (PubChem CID 122064193) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
PubChem CID122064193
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid
SMILESCc1nc(NC(CCC(=O)O)Cc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-12-18-16(21-17(19-12)22(2)3)20-14(9-10-15(23)24)11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,23,24)(H,18,19,20,21)
InChIKeyLCKXTVQRBWQLFW-UHFFFAOYSA-N
XLogP2.13
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(4-amino-5-nitropyrimidin-2-yl)amino]-5-phenylpentanoic acid
CID 122064259
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-5-phenylpentanoic acid
CID 122045697
4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
CID 122064301

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid (CID 122064193) is 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid is Cc1nc(NC(CCC(=O)O)Cc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid?
The InChIKey is LCKXTVQRBWQLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-18-16(21-17(19-12)22(2)3)20-14(9-10-15(23)24)11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,23,24)(H,18,19,20,21).
What are the key properties of 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid?
4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).