2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile

C24H24N4O — CID 127024139

About 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile

2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile (PubChem CID 127024139) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile.

Molecular Properties

• Compound Name: 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
• PubChem CID: 127024139
• Molecular Formula: C24H24N4O
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.20
• IUPAC Name: 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
• SMILES: Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(OCC#N)c2)n1
• InChI: InChI=1S/C24H24N4O/c1-16-10-11-19(14-23(16)29-13-12-25)22-15-24(27-17(2)26-22)28-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-11,14-15,21H,5,7,9,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1
• InChIKey: DDZLIOPAKILTES-OAQYLSRUSA-N
• XLogP: 5.15
• TPSA: 70.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile?

The IUPAC name of 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile (CID 127024139) is 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile.

What is the SMILES notation for 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile?

The canonical SMILES for 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C)c(OCC#N)c2)n1.

What is the InChIKey of 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile?

The InChIKey is DDZLIOPAKILTES-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-10-11-19(14-23(16)29-13-12-25)22-15-24(27-17(2)26-22)28-21-9-5-7-18-6-3-4-8-20(18)21/h3-4,6,8,10-11,14-15,21H,5,7,9,13H2,1-2H3,(H,26,27,28)/t21-/m1/s1.

What are the key properties of 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile?

2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile has a molecular weight of 384.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile is sourced from PubChem (CID 127024139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).