Ormetoprim

C₁₄H₁₈N₄O₂ — CID 23418

About Ormetoprim

Ormetoprim (PubChem CID 23418) has the molecular formula C₁₄H₁₈N₄O₂ and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: Ormetoprim
• PubChem CID: 23418
• Molecular Formula: C₁₄H₁₈N₄O₂
• Molecular Weight: 274.32 g/mol
• Exact Mass: 274.14
• IUPAC Name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
• SMILES: COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
• InChI: InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
• InChIKey: KEEYRKYKLYARHO-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 96.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.32
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Ormetoprim?

The IUPAC name of Ormetoprim (CID 23418) is 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for Ormetoprim?

The canonical SMILES for Ormetoprim is COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC.

What is the InChIKey of Ormetoprim?

The InChIKey is KEEYRKYKLYARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18).

What are the key properties of Ormetoprim?

Ormetoprim has a molecular weight of 274.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ormetoprim is sourced from PubChem (CID 23418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 23418 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 5593 — approved-drug record (CC BY-SA 4.0)

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