N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine

C26H30N6O2 — CID 10321920

About N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 10321920) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
• PubChem CID: 10321920
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine
• SMILES: CCN(CC)CCOc1ccc(Nc2nccc(-c3cn[nH]c3-c3ccc(OC)cc3)n2)cc1
• InChI: InChI=1S/C26H30N6O2/c1-4-32(5-2)16-17-34-22-12-8-20(9-13-22)29-26-27-15-14-24(30-26)23-18-28-31-25(23)19-6-10-21(33-3)11-7-19/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,31)(H,27,29,30)
• InChIKey: ARVQQXKWDMGFNA-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 88.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?

The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine (CID 10321920) is N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine.

What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?

The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine is CCN(CC)CCOc1ccc(Nc2nccc(-c3cn[nH]c3-c3ccc(OC)cc3)n2)cc1.

What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?

The InChIKey is ARVQQXKWDMGFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-4-32(5-2)16-17-34-22-12-8-20(9-13-22)29-26-27-15-14-24(30-26)23-18-28-31-25(23)19-6-10-21(33-3)11-7-19/h6-15,18H,4-5,16-17H2,1-3H3,(H,28,31)(H,27,29,30).

What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine?

N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 458.57 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-4-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10321920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).