3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid

C11H11N5O2 — CID 62711849

IUPAC3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1nccc(CNc2nccnc2C(=O)O)n1
InChIInChI=1S/C11H11N5O2/c1-7-12-3-2-8(16-7)6-15-10-9(11(17)18)13-4-5-14-10/h2-5H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyASFPJWGZVAKESL-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.89
Rot. Bonds4

About 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid

3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 62711849) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID62711849
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1nccc(CNc2nccnc2C(=O)O)n1
InChIInChI=1S/C11H11N5O2/c1-7-12-3-2-8(16-7)6-15-10-9(11(17)18)13-4-5-14-10/h2-5H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyASFPJWGZVAKESL-UHFFFAOYSA-N
XLogP0.89
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid 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 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid (CID 62711849) is 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid is Cc1nccc(CNc2nccnc2C(=O)O)n1.
What is the InChIKey of 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is ASFPJWGZVAKESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-12-3-2-8(16-7)6-15-10-9(11(17)18)13-4-5-14-10/h2-5H,6H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid?
3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrimidin-4-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 62711849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).