3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C14H12FN7O2 — CID 121351035

About 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351035) has the molecular formula C14H12FN7O2 and a molecular weight of 329.30 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• PubChem CID: 121351035
• Molecular Formula: C14H12FN7O2
• Molecular Weight: 329.30 g/mol
• Exact Mass: 329.10
• IUPAC Name: 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NCc2ncc(F)cn2)c(N)nc1-c1ncco1
• InChI: InChI=1S/C14H12FN7O2/c1-7-10(14-17-2-3-24-14)22-12(16)11(21-7)13(23)20-6-9-18-4-8(15)5-19-9/h2-5H,6H2,1H3,(H2,16,22)(H,20,23)
• InChIKey: PFHWHBRUGJZKMJ-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 132.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.30
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351035) is 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2ncc(F)cn2)c(N)nc1-c1ncco1.

What is the InChIKey of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

The InChIKey is PFHWHBRUGJZKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN7O2/c1-7-10(14-17-2-3-24-14)22-12(16)11(21-7)13(23)20-6-9-18-4-8(15)5-19-9/h2-5H,6H2,1H3,(H2,16,22)(H,20,23).

What are the key properties of 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?

3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 329.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).