2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

C18H25N5O3 — CID 118775037

About 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol

2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 118775037) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
• PubChem CID: 118775037
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
• SMILES: CN(Cc1cc(C2CC2)on1)c1cc(C2CCOC2)nc(NCCO)n1
• InChI: InChI=1S/C18H25N5O3/c1-23(10-14-8-16(26-22-14)12-2-3-12)17-9-15(13-4-7-25-11-13)20-18(21-17)19-5-6-24/h8-9,12-13,24H,2-7,10-11H2,1H3,(H,19,20,21)
• InChIKey: BGYNMOTWYJVQEB-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 96.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol (CID 118775037) is 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is CN(Cc1cc(C2CC2)on1)c1cc(C2CCOC2)nc(NCCO)n1.

What is the InChIKey of 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?

The InChIKey is BGYNMOTWYJVQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-23(10-14-8-16(26-22-14)12-2-3-12)17-9-15(13-4-7-25-11-13)20-18(21-17)19-5-6-24/h8-9,12-13,24H,2-7,10-11H2,1H3,(H,19,20,21).

What are the key properties of 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol?

2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 359.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl-methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 118775037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).