1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

C18H19FN6O2 — CID 110187236

About 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea

1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (PubChem CID 110187236) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

Molecular Properties

• Compound Name: 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• PubChem CID: 110187236
• Molecular Formula: C18H19FN6O2
• Molecular Weight: 370.39 g/mol
• Exact Mass: 370.16
• IUPAC Name: 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• SMILES: Cc1noc(C)c1NC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
• InChI: InChI=1S/C18H19FN6O2/c1-10-16(11(2)27-25-10)24-18(26)22-14-7-8-15(23-17(14)20)21-9-12-3-5-13(19)6-4-12/h3-8H,9H2,1-2H3,(H3,20,21,23)(H2,22,24,26)
• InChIKey: QEGDVRNAJDGCIP-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 118.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.39
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The IUPAC name of 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea (CID 110187236) is 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea.

What is the SMILES notation for 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The canonical SMILES for 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is Cc1noc(C)c1NC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.

What is the InChIKey of 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

The InChIKey is QEGDVRNAJDGCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-10-16(11(2)27-25-10)24-18(26)22-14-7-8-15(23-17(14)20)21-9-12-3-5-13(19)6-4-12/h3-8H,9H2,1-2H3,(H3,20,21,23)(H2,22,24,26).

What are the key properties of 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea?

1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea has a molecular weight of 370.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea is sourced from PubChem (CID 110187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).