4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol

C13H16N4O2 — CID 71372579

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C13H16N4O2/c1-7-3-8(5-10(19-2)11(7)18)4-9-6-16-13(15)17-12(9)14/h3,5-6,18H,4H2,1-2H3,(H4,14,15,16,17)
InChIKeyUQIMTBOIPIUWEO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.25
Rot. Bonds3

About 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol (PubChem CID 71372579) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
PubChem CID71372579
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(C)c1O
InChIInChI=1S/C13H16N4O2/c1-7-3-8(5-10(19-2)11(7)18)4-9-6-16-13(15)17-12(9)14/h3,5-6,18H,4H2,1-2H3,(H4,14,15,16,17)
InChIKeyUQIMTBOIPIUWEO-UHFFFAOYSA-N
XLogP1.25
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
Ormetoprim
CID 23418
Tetroxoprim
CID 65450
2,4-Diamino-5-piperonylpyrimidine
CID 26341
Trimethoprim lactate
CID 3084396
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Alpha-Hydroxytrimethoprim
CID 44362947
GW-2580
CID 11617559
2,4-Diamino-5-[3',4'-Dimethoxy-5'-(5-Carboxyl-1-Pentynyl)]benzyl Pyrimidine
CID 5271440
5-Hexyl-2-pyrimidin-2-yloxyphenol
CID 44450156

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol (CID 71372579) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol is COc1cc(Cc2cnc(N)nc2N)cc(C)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol?
The InChIKey is UQIMTBOIPIUWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-7-3-8(5-10(19-2)11(7)18)4-9-6-16-13(15)17-12(9)14/h3,5-6,18H,4H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol has a molecular weight of 260.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol is sourced from PubChem (CID 71372579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).