3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid

C9H7N5O2 — CID 68926344

IUPAC3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Nc1cncnc1
InChIInChI=1S/C9H7N5O2/c15-9(16)7-8(13-2-1-12-7)14-6-3-10-5-11-4-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyNHDPPOABDYJQCA-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.71
Rot. Bonds3

About 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid

3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid (PubChem CID 68926344) has the molecular formula C9H7N5O2 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
PubChem CID68926344
Molecular FormulaC9H7N5O2
Molecular Weight217.19 g/mol
Exact Mass217.06
IUPAC Name3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Nc1cncnc1
InChIInChI=1S/C9H7N5O2/c15-9(16)7-8(13-2-1-12-7)14-6-3-10-5-11-4-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyNHDPPOABDYJQCA-UHFFFAOYSA-N
XLogP0.71
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid (CID 68926344) is 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Nc1cncnc1.
What is the InChIKey of 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid?
The InChIKey is NHDPPOABDYJQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2/c15-9(16)7-8(13-2-1-12-7)14-6-3-10-5-11-4-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid?
3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid has a molecular weight of 217.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 68926344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).