9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine

C19H19FN6O — CID 166713817

IUPAC9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine
SMILESCOc1ncc2c(n1)N(Cc1ccc(C)cc1F)C(c1cccnn1)N2C
InChIInChI=1S/C19H19FN6O/c1-12-6-7-13(14(20)9-12)11-26-17-16(10-21-19(23-17)27-3)25(2)18(26)15-5-4-8-22-24-15/h4-10,18H,11H2,1-3H3
InChIKeyKXEQNEZJJBGQBH-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.88
Rot. Bonds4

About 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine

9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine (PubChem CID 166713817) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine.

Molecular Properties

Compound Name9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine
PubChem CID166713817
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine
SMILESCOc1ncc2c(n1)N(Cc1ccc(C)cc1F)C(c1cccnn1)N2C
InChIInChI=1S/C19H19FN6O/c1-12-6-7-13(14(20)9-12)11-26-17-16(10-21-19(23-17)27-3)25(2)18(26)15-5-4-8-22-24-15/h4-10,18H,11H2,1-3H3
InChIKeyKXEQNEZJJBGQBH-UHFFFAOYSA-N
XLogP2.88
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-(5-bromo-3-pyridinyl)-9-[(2-fluoro-4-methylsulfanyloxyphenyl)methyl]-2-methoxy-6,7-dimethyl-8H-purine
CID 166713796
2-methoxy-7-methylquinazoline
CID 176679666
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
[1-[(2-chlorophenyl)methyl]-3-(2-fluoropyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
CID 161335033
4-[(2-fluoro-4-methylphenyl)methyl]-6-methoxy-7-propylquinoline
CID 130443606
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273599
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
CID 131962997
9-[[4-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]-2-methoxy-6-methyl-8-pyridin-3-ylpurine
CID 138701047
(4-methoxy-2-methyl-3-pyridazin-3-ylphenyl)methanol
CID 166845055

Frequently Asked Questions

What is the IUPAC name of 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine?
The IUPAC name of 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine (CID 166713817) is 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine.
What is the SMILES notation for 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine?
The canonical SMILES for 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine is COc1ncc2c(n1)N(Cc1ccc(C)cc1F)C(c1cccnn1)N2C.
What is the InChIKey of 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine?
The InChIKey is KXEQNEZJJBGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-6-7-13(14(20)9-12)11-26-17-16(10-21-19(23-17)27-3)25(2)18(26)15-5-4-8-22-24-15/h4-10,18H,11H2,1-3H3.
What are the key properties of 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine?
9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine has a molecular weight of 366.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-fluoro-4-methylphenyl)methyl]-2-methoxy-7-methyl-8-pyridazin-3-yl-8H-purine is sourced from PubChem (CID 166713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).