4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol

C14H16FN3O3 — CID 12656275

IUPAC4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2cnc(N)c(F)c2N)cc(OC)c1O
InChIInChI=1S/C14H16FN3O3/c1-20-9-4-7(5-10(21-2)13(9)19)3-8-6-18-14(17)11(15)12(8)16/h4-6,19H,3H2,1-2H3,(H4,16,17,18)
InChIKeyVEWGLVQLCBOBMN-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.70
Rot. Bonds4

About 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol

4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol (PubChem CID 12656275) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol
PubChem CID12656275
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2cnc(N)c(F)c2N)cc(OC)c1O
InChIInChI=1S/C14H16FN3O3/c1-20-9-4-7(5-10(21-2)13(9)19)3-8-6-18-14(17)11(15)12(8)16/h4-6,19H,3H2,1-2H3,(H4,16,17,18)
InChIKeyVEWGLVQLCBOBMN-UHFFFAOYSA-N
XLogP1.70
TPSA103.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
CID 12656267
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol;5-[[4-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenoxy]methoxy]-3-methoxy-5-methylphenyl]methyl]pyrimidine-2,4-diamine;dibromomethane
CID 161218618
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
4-[[2-amino-4-(benzylideneamino)pyrimidin-5-yl]methyl]-2,6-dimethoxyphenol
CID 134148134
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154
[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl]methanol
CID 70937972
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol (CID 12656275) is 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol is COc1cc(Cc2cnc(N)c(F)c2N)cc(OC)c1O.
What is the InChIKey of 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The InChIKey is VEWGLVQLCBOBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-20-9-4-7(5-10(21-2)13(9)19)3-8-6-18-14(17)11(15)12(8)16/h4-6,19H,3H2,1-2H3,(H4,16,17,18).
What are the key properties of 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol has a molecular weight of 293.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 12656275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).