N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine

C26H24FN5O — CID 156760053

IUPACN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)on1
InChIInChI=1S/C26H24FN5O/c1-16-4-9-22(27)26-21(16)13-18(3)32(26)11-10-28-25-14-23(29-15-30-25)19-5-7-20(8-6-19)24-12-17(2)31-33-24/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30)
InChIKeyWFVYJIUHHZPKGY-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.93
Rot. Bonds6

About N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine

N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 156760053) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID156760053
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC NameN-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)on1
InChIInChI=1S/C26H24FN5O/c1-16-4-9-22(27)26-21(16)13-18(3)32(26)11-10-28-25-14-23(29-15-30-25)19-5-7-20(8-6-19)24-12-17(2)31-33-24/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30)
InChIKeyWFVYJIUHHZPKGY-UHFFFAOYSA-N
XLogP5.93
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (CID 156760053) is N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine is Cc1cc(-c2ccc(-c3cc(NCCn4c(C)cc5c(C)ccc(F)c54)ncn3)cc2)on1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is WFVYJIUHHZPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-16-4-9-22(27)26-21(16)13-18(3)32(26)11-10-28-25-14-23(29-15-30-25)19-5-7-20(8-6-19)24-12-17(2)31-33-24/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30).
What are the key properties of N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 441.51 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 156760053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).