1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

C₁₉H₂₁N₇O₂ — CID 171836315

About 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one

1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (PubChem CID 171836315) has the molecular formula C₁₉H₂₁N₇O₂ and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
• PubChem CID: 171836315
• Molecular Formula: C₁₉H₂₁N₇O₂
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.18
• IUPAC Name: 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one
• SMILES: CC(CO)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1
• InChI: InChI=1S/C19H21N7O2/c1-13(12-27)26-11-15(10-22-26)23-17-6-7-20-18(24-17)14-2-4-16(5-3-14)25-9-8-21-19(25)28/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,21,28)(H,20,23,24)
• InChIKey: HZINNPDDBVCPNP-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one (CID 171836315) is 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is CC(CO)n1cc(Nc2ccnc(-c3ccc(N4CCNC4=O)cc3)n2)cn1.

What is the InChIKey of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?

The InChIKey is HZINNPDDBVCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13(12-27)26-11-15(10-22-26)23-17-6-7-20-18(24-17)14-2-4-16(5-3-14)25-9-8-21-19(25)28/h2-7,10-11,13,27H,8-9,12H2,1H3,(H,21,28)(H,20,23,24).

What are the key properties of 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one?

1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[[1-(1-hydroxypropan-2-yl)pyrazol-4-yl]amino]pyrimidin-2-yl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 171836315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171836315 — identifiers, structure, computed properties (public domain)

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