1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

C18H25N7O — CID 662939

IUPAC1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C
InChIInChI=1S/C18H25N7O/c1-11-4-3-5-14(12(11)2)21-18-23-15(22-17(20)24-18)10-25-8-6-13(7-9-25)16(19)26/h3-5,13H,6-10H2,1-2H3,(H2,19,26)(H3,20,21,22,23,24)
InChIKeyDRJVDZXBUINUKE-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.51
Rot. Bonds5

About 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 662939) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
PubChem CID662939
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C
InChIInChI=1S/C18H25N7O/c1-11-4-3-5-14(12(11)2)21-18-23-15(22-17(20)24-18)10-25-8-6-13(7-9-25)16(19)26/h3-5,13H,6-10H2,1-2H3,(H2,19,26)(H3,20,21,22,23,24)
InChIKeyDRJVDZXBUINUKE-UHFFFAOYSA-N
XLogP1.51
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide (CID 662939) is 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide is Cc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C.
What is the InChIKey of 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is DRJVDZXBUINUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-11-4-3-5-14(12(11)2)21-18-23-15(22-17(20)24-18)10-25-8-6-13(7-9-25)16(19)26/h3-5,13H,6-10H2,1-2H3,(H2,19,26)(H3,20,21,22,23,24).
What are the key properties of 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide?
1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(2,3-dimethylanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).