N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine

C38H35F6N5O — CID 134150865

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 134150865) has the molecular formula C38H35F6N5O and a molecular weight of 691.72 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
• PubChem CID: 134150865
• Molecular Formula: C38H35F6N5O
• Molecular Weight: 691.72 g/mol
• Exact Mass: 691.27
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
• SMILES: COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CCc2ccccc21
• InChI: InChI=1S/C38H35F6N5O/c1-23(2)26-11-12-34(50-4)33(15-26)35-27(10-9-25-7-5-6-8-32(25)35)22-49(36-45-17-28(18-46-36)29-19-47-48(3)21-29)20-24-13-30(37(39,40)41)16-31(14-24)38(42,43)44/h5-8,11-19,21,23H,9-10,20,22H2,1-4H3
• InChIKey: SYPLOXXEJRTVHJ-UHFFFAOYSA-N
• XLogP: 9.50
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.72
LogP ≤ 5	9.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 134150865) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine is COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CCc2ccccc21.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine?

The InChIKey is SYPLOXXEJRTVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35F6N5O/c1-23(2)26-11-12-34(50-4)33(15-26)35-27(10-9-25-7-5-6-8-32(25)35)22-49(36-45-17-28(18-46-36)29-19-47-48(3)21-29)20-24-13-30(37(39,40)41)16-31(14-24)38(42,43)44/h5-8,11-19,21,23H,9-10,20,22H2,1-4H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 691.72 g/mol, XLogP of 9.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[1-(2-methoxy-5-propan-2-ylphenyl)-3,4-dihydronaphthalen-2-yl]methyl]-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 134150865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).