3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone

C18H17N5O2 — CID 109259727

About 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone (PubChem CID 109259727) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
• PubChem CID: 109259727
• Molecular Formula: C18H17N5O2
• Molecular Weight: 335.37 g/mol
• Exact Mass: 335.14
• IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone
• SMILES: Cc1cc(Nc2ncc(C(=O)N3CCc4ccccc4C3)cn2)no1
• InChI: InChI=1S/C18H17N5O2/c1-12-8-16(22-25-12)21-18-19-9-15(10-20-18)17(24)23-7-6-13-4-2-3-5-14(13)11-23/h2-5,8-10H,6-7,11H2,1H3,(H,19,20,21,22)
• InChIKey: BEQVUXIJXATPMZ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.37
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?

The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone (CID 109259727) is 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone.

What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?

The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone is Cc1cc(Nc2ncc(C(=O)N3CCc4ccccc4C3)cn2)no1.

What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?

The InChIKey is BEQVUXIJXATPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-8-16(22-25-12)21-18-19-9-15(10-20-18)17(24)23-7-6-13-4-2-3-5-14(13)11-23/h2-5,8-10H,6-7,11H2,1H3,(H,19,20,21,22).

What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone?

3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone has a molecular weight of 335.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-1H-isoquinolin-2-yl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109259727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).