4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

C26H24N4 — CID 142035710

About 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine

4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (PubChem CID 142035710) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
• PubChem CID: 142035710
• Molecular Formula: C26H24N4
• Molecular Weight: 392.51 g/mol
• Exact Mass: 392.20
• IUPAC Name: 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
• SMILES: C[C@H](Nc1nccc(-n2ccc3cc(C4(C)C=CC=C4)ccc32)n1)c1ccccc1
• InChI: InChI=1S/C26H24N4/c1-19(20-8-4-3-5-9-20)28-25-27-16-12-24(29-25)30-17-13-21-18-22(10-11-23(21)30)26(2)14-6-7-15-26/h3-19H,1-2H3,(H,27,28,29)/t19-/m0/s1
• InChIKey: RPJOFBKXXIGFAV-IBGZPJMESA-N
• XLogP: 5.98
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.51
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?

The IUPAC name of 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine (CID 142035710) is 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is C[C@H](Nc1nccc(-n2ccc3cc(C4(C)C=CC=C4)ccc32)n1)c1ccccc1.

What is the InChIKey of 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?

The InChIKey is RPJOFBKXXIGFAV-IBGZPJMESA-N. The full InChI is InChI=1S/C26H24N4/c1-19(20-8-4-3-5-9-20)28-25-27-16-12-24(29-25)30-17-13-21-18-22(10-11-23(21)30)26(2)14-6-7-15-26/h3-19H,1-2H3,(H,27,28,29)/t19-/m0/s1.

What are the key properties of 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine?

4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine has a molecular weight of 392.51 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1-methylcyclopenta-2,4-dien-1-yl)indol-1-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine is sourced from PubChem (CID 142035710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).