5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine

C20H17ClN6O2 — CID 142709238

About 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine

5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine (PubChem CID 142709238) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine
• PubChem CID: 142709238
• Molecular Formula: C20H17ClN6O2
• Molecular Weight: 408.85 g/mol
• Exact Mass: 408.11
• IUPAC Name: 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine
• SMILES: NCc1cc(-c2cncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)on1
• InChI: InChI=1S/C20H17ClN6O2/c21-17-7-13(4-5-18(17)28-11-14-3-1-2-6-24-14)26-20-16(10-23-12-25-20)19-8-15(9-22)27-29-19/h1-8,10,12H,9,11,22H2,(H,23,25,26)
• InChIKey: AQMGPSQCQVMLJC-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 111.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.85
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine?

The IUPAC name of 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine (CID 142709238) is 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine.

What is the SMILES notation for 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine?

The canonical SMILES for 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine is NCc1cc(-c2cncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)on1.

What is the InChIKey of 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine?

The InChIKey is AQMGPSQCQVMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c21-17-7-13(4-5-18(17)28-11-14-3-1-2-6-24-14)26-20-16(10-23-12-25-20)19-8-15(9-22)27-29-19/h1-8,10,12H,9,11,22H2,(H,23,25,26).

What are the key properties of 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine?

5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 408.85 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 142709238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).