3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide

C12H12N6O — CID 136525921

IUPAC3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C12H12N6O/c13-10-9(14-3-4-15-10)12(19)18-8-5-16-11(17-6-8)7-1-2-7/h3-7H,1-2H2,(H2,13,15)(H,18,19)
InChIKeyFDUWDQGHMNGUKG-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.98
Rot. Bonds3

About 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide

3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide (PubChem CID 136525921) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide
PubChem CID136525921
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1cnc(C2CC2)nc1
InChIInChI=1S/C12H12N6O/c13-10-9(14-3-4-15-10)12(19)18-8-5-16-11(17-6-8)7-1-2-7/h3-7H,1-2H2,(H2,13,15)(H,18,19)
InChIKeyFDUWDQGHMNGUKG-UHFFFAOYSA-N
XLogP0.98
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-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 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide (CID 136525921) is 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1cnc(C2CC2)nc1.
What is the InChIKey of 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide?
The InChIKey is FDUWDQGHMNGUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c13-10-9(14-3-4-15-10)12(19)18-8-5-16-11(17-6-8)7-1-2-7/h3-7H,1-2H2,(H2,13,15)(H,18,19).
What are the key properties of 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide?
3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopropylpyrimidin-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 136525921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).