(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide

C11H17N5O2 — CID 59474157

IUPAC(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1nc(C)nc(OC)n1
InChIInChI=1S/C11H17N5O2/c1-7-13-10(15-11(14-7)18-3)16-6-4-5-8(16)9(17)12-2/h8H,4-6H2,1-3H3,(H,12,17)/t8-/m0/s1
InChIKeyDBOHKEFYIFBJTK-QMMMGPOBSA-N
MW251.29 g/mol
LogP-0.10
Rot. Bonds3

About (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide

(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 59474157) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID59474157
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1c1nc(C)nc(OC)n1
InChIInChI=1S/C11H17N5O2/c1-7-13-10(15-11(14-7)18-3)16-6-4-5-8(16)9(17)12-2/h8H,4-6H2,1-3H3,(H,12,17)/t8-/m0/s1
InChIKeyDBOHKEFYIFBJTK-QMMMGPOBSA-N
XLogP-0.10
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 59474157) is (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1c1nc(C)nc(OC)n1.
What is the InChIKey of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is DBOHKEFYIFBJTK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-13-10(15-11(14-7)18-3)16-6-4-5-8(16)9(17)12-2/h8H,4-6H2,1-3H3,(H,12,17)/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
(2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59474157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).