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

C15H18N4O2 — CID 14570151

IUPAC4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
InChIInChI=1S/C15H18N4O2/c1-3-4-10-5-9(7-12(21-2)13(10)20)6-11-8-18-15(17)19-14(11)16/h3,5,7-8,20H,1,4,6H2,2H3,(H4,16,17,18,19)
InChIKeyMYPWSRSRUZNFDA-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.67
Rot. Bonds5

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

4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol (PubChem CID 14570151) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol
PubChem CID14570151
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
InChIInChI=1S/C15H18N4O2/c1-3-4-10-5-9(7-12(21-2)13(10)20)6-11-8-18-15(17)19-14(11)16/h3,5,7-8,20H,1,4,6H2,2H3,(H4,16,17,18,19)
InChIKeyMYPWSRSRUZNFDA-UHFFFAOYSA-N
XLogP1.67
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
Tetroxoprim
CID 65450
Ormetoprim
CID 23418
2,4-Diamino-5-piperonylpyrimidine
CID 26341
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Trimethoprim lactate
CID 3084396
GW-2580
CID 11617559
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2,4-Pyrimidinediamine, 5-((3,5-dimethoxyphenyl)methyl)-
CID 88496
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol?
The IUPAC name of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol (CID 14570151) is 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol is C=CCc1cc(Cc2cnc(N)nc2N)cc(OC)c1O.
What is the InChIKey of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol?
The InChIKey is MYPWSRSRUZNFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-10-5-9(7-12(21-2)13(10)20)6-11-8-18-15(17)19-14(11)16/h3,5,7-8,20H,1,4,6H2,2H3,(H4,16,17,18,19).
What are the key properties of 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol?
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-prop-2-enylphenol has a molecular weight of 286.34 g/mol, XLogP of 1.67, 5 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-prop-2-enylphenol is sourced from PubChem (CID 14570151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).