Trimethoprim

Name: Trimethoprim — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₈N₄O₃ — CID 5578

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Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

InChIInChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)

InChIKeyIEDVJHCEMCRBQM-UHFFFAOYSA-N

MW290.32 g/mol

LogP1.26

Rot. Bonds5

About Trimethoprim

Trimethoprim (PubChem CID 5578) has the molecular formula C₁₄H₁₈N₄O₃ and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name	Trimethoprim
PubChem CID	5578
Molecular Formula	C₁₄H₁₈N₄O₃
Molecular Weight	290.32 g/mol
Exact Mass	290.14
IUPAC Name	5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILES	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChI	InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKey	IEDVJHCEMCRBQM-UHFFFAOYSA-N
XLogP	1.26
TPSA	105.51 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.32
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Trimethoprim?

The IUPAC name of Trimethoprim (CID 5578) is 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for Trimethoprim?

The canonical SMILES for Trimethoprim is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.

What is the InChIKey of Trimethoprim?

The InChIKey is IEDVJHCEMCRBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18).

What are the key properties of Trimethoprim?

Trimethoprim has a molecular weight of 290.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethoprim is sourced from PubChem (CID 5578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: T · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 5578 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 2755 — approved-drug record (CC BY-SA 4.0)

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