N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine

C24H27F4N5 — CID 162424573

About N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine

N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 162424573) has the molecular formula C24H27F4N5 and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine
• PubChem CID: 162424573
• Molecular Formula: C24H27F4N5
• Molecular Weight: 461.51 g/mol
• Exact Mass: 461.22
• IUPAC Name: N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine
• SMILES: C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCC(F)(F)F)n1)C1CCCCC1
• InChI: InChI=1S/C24H27F4N5/c1-16(17-5-3-2-4-6-17)31-23-29-13-11-20(32-23)22-21(18-7-9-19(25)10-8-18)30-15-33(22)14-12-24(26,27)28/h7-11,13,15-17H,2-6,12,14H2,1H3,(H,29,31,32)/t16-/m1/s1
• InChIKey: NRVXONIKNSXLFA-MRXNPFEDSA-N
• XLogP: 6.48
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.51
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine?

The IUPAC name of N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine (CID 162424573) is N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine?

The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine is C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2CCC(F)(F)F)n1)C1CCCCC1.

What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine?

The InChIKey is NRVXONIKNSXLFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27F4N5/c1-16(17-5-3-2-4-6-17)31-23-29-13-11-20(32-23)22-21(18-7-9-19(25)10-8-18)30-15-33(22)14-12-24(26,27)28/h7-11,13,15-17H,2-6,12,14H2,1H3,(H,29,31,32)/t16-/m1/s1.

What are the key properties of N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine?

N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 461.51 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclohexylethyl]-4-[5-(4-fluorophenyl)-3-(3,3,3-trifluoropropyl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 162424573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).