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

C14H17N3O3 — CID 12656267

IUPAC4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2cnc(N)cc2N)cc(OC)c1O
InChIInChI=1S/C14H17N3O3/c1-19-11-4-8(5-12(20-2)14(11)18)3-9-7-17-13(16)6-10(9)15/h4-7,18H,3H2,1-2H3,(H4,15,16,17)
InChIKeyKJACNYSLBZOBLT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.56
Rot. Bonds4

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

4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol (PubChem CID 12656267) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
PubChem CID12656267
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(Cc2cnc(N)cc2N)cc(OC)c1O
InChIInChI=1S/C14H17N3O3/c1-19-11-4-8(5-12(20-2)14(11)18)3-9-7-17-13(16)6-10(9)15/h4-7,18H,3H2,1-2H3,(H4,15,16,17)
InChIKeyKJACNYSLBZOBLT-UHFFFAOYSA-N
XLogP1.56
TPSA103.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4,6-diamino-5-fluoro-3-pyridinyl)methyl]-2,6-dimethoxyphenol
CID 12656275
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-6-methylphenol
CID 71372579
4-[[2-amino-4-(benzylideneamino)pyrimidin-5-yl]methyl]-2,6-dimethoxyphenol
CID 134148134
6-amino-4-methoxypyridin-3-ol
CID 175559465
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
4-[(2,4-dimethoxyphenyl)methyl]-2,6-dimethoxyphenol
CID 91244154
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
2-amino-4-(aminomethyl)-6-methoxyphenol
CID 91902669
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
5-propylpyridine-2,4-diamine
CID 57315909
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802
2-amino-4-(chloromethyl)-6-methoxyphenol
CID 94776906

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol (CID 12656267) is 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol is COc1cc(Cc2cnc(N)cc2N)cc(OC)c1O.
What is the InChIKey of 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
The InChIKey is KJACNYSLBZOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-11-4-8(5-12(20-2)14(11)18)3-9-7-17-13(16)6-10(9)15/h4-7,18H,3H2,1-2H3,(H4,15,16,17).
What are the key properties of 4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol?
4-[(4,6-diamino-3-pyridinyl)methyl]-2,6-dimethoxyphenol has a molecular weight of 275.31 g/mol, XLogP of 1.56, 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-3-pyridinyl)methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 12656267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).