2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine

C24H33N5O — CID 92627823

About 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine

2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (PubChem CID 92627823) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
• PubChem CID: 92627823
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine
• SMILES: Cc1nc(NCc2ccccc2OC(C)C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1
• InChI: InChI=1S/C24H33N5O/c1-15(2)30-23-11-9-8-10-21(23)13-25-24-12-22(26-20(7)27-24)16(3)14-29-19(6)17(4)18(5)28-29/h8-12,15-16H,13-14H2,1-7H3,(H,25,26,27)/t16-/m0/s1
• InChIKey: MJMLLLSTNYDMQE-INIZCTEOSA-N
• XLogP: 5.11
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?

The IUPAC name of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine (CID 92627823) is 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine.

What is the SMILES notation for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?

The canonical SMILES for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is Cc1nc(NCc2ccccc2OC(C)C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1.

What is the InChIKey of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?

The InChIKey is MJMLLLSTNYDMQE-INIZCTEOSA-N. The full InChI is InChI=1S/C24H33N5O/c1-15(2)30-23-11-9-8-10-21(23)13-25-24-12-22(26-20(7)27-24)16(3)14-29-19(6)17(4)18(5)28-29/h8-12,15-16H,13-14H2,1-7H3,(H,25,26,27)/t16-/m0/s1.

What are the key properties of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine?

2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine has a molecular weight of 407.56 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-6-[(2S)-1-(3,4,5-trimethylpyrazol-1-yl)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 92627823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).