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

C26H24FN5O — CID 156760097

IUPACN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCc1cnoc1-c1ccc(-c2cc(NCCn3c(C)cc4c(C)cc(F)cc43)ncn2)cc1
InChIInChI=1S/C26H24FN5O/c1-16-10-21(27)12-24-22(16)11-18(3)32(24)9-8-28-25-13-23(29-15-30-25)19-4-6-20(7-5-19)26-17(2)14-31-33-26/h4-7,10-15H,8-9H2,1-3H3,(H,28,29,30)
InChIKeyAGIXFEDLLDOEIQ-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.93
Rot. Bonds6

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

N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 156760097) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID156760097
Molecular FormulaC26H24FN5O
Molecular Weight441.51 g/mol
Exact Mass441.20
IUPAC NameN-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCc1cnoc1-c1ccc(-c2cc(NCCn3c(C)cc4c(C)cc(F)cc43)ncn2)cc1
InChIInChI=1S/C26H24FN5O/c1-16-10-21(27)12-24-22(16)11-18(3)32(24)9-8-28-25-13-23(29-15-30-25)19-4-6-20(7-5-19)26-17(2)14-31-33-26/h4-7,10-15H,8-9H2,1-3H3,(H,28,29,30)
InChIKeyAGIXFEDLLDOEIQ-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-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (CID 156760097) is N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine is Cc1cnoc1-c1ccc(-c2cc(NCCn3c(C)cc4c(C)cc(F)cc43)ncn2)cc1.
What is the InChIKey of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is AGIXFEDLLDOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-16-10-21(27)12-24-22(16)11-18(3)32(24)9-8-28-25-13-23(29-15-30-25)19-4-6-20(7-5-19)26-17(2)14-31-33-26/h4-7,10-15H,8-9H2,1-3H3,(H,28,29,30).
What are the key properties of N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
N-[2-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-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-(6-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(4-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 156760097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).