3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide

C15H12N6O — CID 59471810

IUPAC3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H12N6O/c16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10/h1-9H,(H2,16,19)(H,20,22)
InChIKeyGWBGPAMRUDXEGH-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide

3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide (PubChem CID 59471810) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
PubChem CID59471810
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H12N6O/c16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10/h1-9H,(H2,16,19)(H,20,22)
InChIKeyGWBGPAMRUDXEGH-UHFFFAOYSA-N
XLogP1.77
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide (CID 59471810) is 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide is Nc1ncc(-c2cncnc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide?
The InChIKey is GWBGPAMRUDXEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-14-13(15(22)20-11-4-2-1-3-5-11)21-12(8-19-14)10-6-17-9-18-7-10/h1-9H,(H2,16,19)(H,20,22).
What are the key properties of 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide?
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59471810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).