(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid

C11H17N5O2 — CID 122051780

IUPAC(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(N(C)C)nc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H17N5O2/c1-7-12-10(15(2)3)14-11(13-7)16-6-4-5-8(16)9(17)18/h8H,4-6H2,1-3H3,(H,17,18)/t8-/m1/s1
InChIKeyZBZDGGDGCCRRRR-MRVPVSSYSA-N
MW251.29 g/mol
LogP0.30
Rot. Bonds3

About (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid (PubChem CID 122051780) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
PubChem CID122051780
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
SMILESCc1nc(N(C)C)nc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C11H17N5O2/c1-7-12-10(15(2)3)14-11(13-7)16-6-4-5-8(16)9(17)18/h8H,4-6H2,1-3H3,(H,17,18)/t8-/m1/s1
InChIKeyZBZDGGDGCCRRRR-MRVPVSSYSA-N
XLogP0.30
TPSA82.45 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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid (CID 122051780) is (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid is Cc1nc(N(C)C)nc(N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZBZDGGDGCCRRRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-12-10(15(2)3)14-11(13-7)16-6-4-5-8(16)9(17)18/h8H,4-6H2,1-3H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).