3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

C15H14FN9 — CID 25171665

About 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 25171665) has the molecular formula C15H14FN9 and a molecular weight of 339.34 g/mol. Its IUPAC name is 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
• PubChem CID: 25171665
• Molecular Formula: C15H14FN9
• Molecular Weight: 339.34 g/mol
• Exact Mass: 339.14
• IUPAC Name: 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
• SMILES: Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1
• InChI: InChI=1S/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/m0/s1
• InChIKey: PIRRYRRDDTYFPP-VIFPVBQESA-N
• XLogP: 2.23
• TPSA: 128.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.34
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The IUPAC name of 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 25171665) is 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1.

What is the InChIKey of 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The InChIKey is PIRRYRRDDTYFPP-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/m0/s1.

What are the key properties of 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 339.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 25171665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).