3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

C16H16FN9 — CID 45486136

About 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile

3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 45486136) has the molecular formula C16H16FN9 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
• PubChem CID: 45486136
• Molecular Formula: C16H16FN9
• Molecular Weight: 353.37 g/mol
• Exact Mass: 353.15
• IUPAC Name: 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
• SMILES: Cc1cc(Nc2nc(N[C@H](C)c3ncc(F)cn3)c(C#N)nc2C)n[nH]1
• InChI: InChI=1S/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/m1/s1
• InChIKey: DCQUEYKYABNNDA-SECBINFHSA-N
• XLogP: 2.53
• TPSA: 128.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.37
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The IUPAC name of 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 45486136) is 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The canonical SMILES for 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2nc(N[C@H](C)c3ncc(F)cn3)c(C#N)nc2C)n[nH]1.

What is the InChIKey of 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

The InChIKey is DCQUEYKYABNNDA-SECBINFHSA-N. The full InChI is InChI=1S/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/m1/s1.

What are the key properties of 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?

3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 353.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]-6-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 45486136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).