2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol

C20H24N6O2 — CID 118775943

About 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol

2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol (PubChem CID 118775943) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol.

Molecular Properties

• Compound Name: 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
• PubChem CID: 118775943
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol
• SMILES: OCCOc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1
• InChI: InChI=1S/C20H24N6O2/c27-10-11-28-19-4-2-16(3-5-19)14-25-8-9-26-18(15-25)12-17(24-26)13-23-20-21-6-1-7-22-20/h1-7,12,27H,8-11,13-15H2,(H,21,22,23)
• InChIKey: OJNDHIQELKHHEM-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 88.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol?

The IUPAC name of 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol (CID 118775943) is 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol.

What is the SMILES notation for 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol?

The canonical SMILES for 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol is OCCOc1ccc(CN2CCn3nc(CNc4ncccn4)cc3C2)cc1.

What is the InChIKey of 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol?

The InChIKey is OJNDHIQELKHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-10-11-28-19-4-2-16(3-5-19)14-25-8-9-26-18(15-25)12-17(24-26)13-23-20-21-6-1-7-22-20/h1-7,12,27H,8-11,13-15H2,(H,21,22,23).

What are the key properties of 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol?

2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol has a molecular weight of 380.45 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 118775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).