5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C26H24FN7O2 — CID 155723035

IUPAC5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)c(OC)c1
InChIInChI=1S/C26H24FN7O2/c1-14-9-10-30-26(33-14)36-19-8-5-15(11-18(19)27)21-22-24(28)31-13-32-25(22)34(3)23(21)17-7-6-16(29-2)12-20(17)35-4/h5-13,29H,1-4H3,(H2,28,31,32)
InChIKeyWAKKGXZRDPYPLT-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.96
Rot. Bonds6

About 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155723035) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155723035
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCNc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)c(OC)c1
InChIInChI=1S/C26H24FN7O2/c1-14-9-10-30-26(33-14)36-19-8-5-15(11-18(19)27)21-22-24(28)31-13-32-25(22)34(3)23(21)17-7-6-16(29-2)12-20(17)35-4/h5-13,29H,1-4H3,(H2,28,31,32)
InChIKeyWAKKGXZRDPYPLT-UHFFFAOYSA-N
XLogP4.96
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 163377360
CID 163377370
CID 163377370
6-(2,5-dideuterio-6-ethynyl-4-methoxy-3-pyridinyl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 164795161
1-[4-[5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4,7-dimethylpyrrolo[2,3-d]pyrimidin-6-yl]-3-methylphenyl]-3-methylidenepyrrolidin-2-one
CID 155310105
6-(5-ethynyl-3-methylpyrazin-2-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4,7-dimethylpyrrolo[2,3-d]pyrimidine
CID 169284316
5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175980527
5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-iodo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methyl-6-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 165091888
6-(6-ethynyl-5-fluoro-3-pyridinyl)-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155309521
5-[4-[4-[2-[4-amino-6-(3-ethynylisoquinolin-7-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]-6-(2-ethynylquinolin-6-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155310034
6-(4-aminophenyl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrimidin-4-amine
CID 165391582
N-[4-[4-amino-5-[2-[[3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-[2-methyl-4-(prop-2-enoylamino)phenyl]pyrrolo[3,2-c]pyridin-1-yl]methyl]-1H-pyrazol-2-ium-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide
CID 155722892
6-(6-ethynyl-2,4-dimethyl-3-pyridinyl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methyl-4-(trideuteriomethyl)pyrrolo[2,3-d]pyrimidine
CID 164795158

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 155723035) is 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is CNc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)c(OC)c1.
What is the InChIKey of 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WAKKGXZRDPYPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-14-9-10-30-26(33-14)36-19-8-5-15(11-18(19)27)21-22-24(28)31-13-32-25(22)34(3)23(21)17-7-6-16(29-2)12-20(17)35-4/h5-13,29H,1-4H3,(H2,28,31,32).
What are the key properties of 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 485.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-6-[2-methoxy-4-(methylamino)phenyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155723035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).