(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C30H35N5 — CID 66589600

About (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 66589600) has the molecular formula C30H35N5 and a molecular weight of 465.65 g/mol. Its IUPAC name is (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• PubChem CID: 66589600
• Molecular Formula: C30H35N5
• Molecular Weight: 465.65 g/mol
• Exact Mass: 465.29
• IUPAC Name: (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• SMILES: CCc1cccc(CC)c1-c1nc(C)c(CN(C)[C@@H]2CCCc3ccccc32)c(-n2cccn2)n1
• InChI: InChI=1S/C30H35N5/c1-5-22-13-9-14-23(6-2)28(22)29-32-21(3)26(30(33-29)35-19-11-18-31-35)20-34(4)27-17-10-15-24-12-7-8-16-25(24)27/h7-9,11-14,16,18-19,27H,5-6,10,15,17,20H2,1-4H3/t27-/m1/s1
• InChIKey: ZFDWXCFKHXAWCS-HHHXNRCGSA-N
• XLogP: 6.27
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.65
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?

The IUPAC name of (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 66589600) is (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

What is the SMILES notation for (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?

The canonical SMILES for (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1cccc(CC)c1-c1nc(C)c(CN(C)[C@@H]2CCCc3ccccc32)c(-n2cccn2)n1.

What is the InChIKey of (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?

The InChIKey is ZFDWXCFKHXAWCS-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H35N5/c1-5-22-13-9-14-23(6-2)28(22)29-32-21(3)26(30(33-29)35-19-11-18-31-35)20-34(4)27-17-10-15-24-12-7-8-16-25(24)27/h7-9,11-14,16,18-19,27H,5-6,10,15,17,20H2,1-4H3/t27-/m1/s1.

What are the key properties of (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?

(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 465.65 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).