4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine

C18H20BrN5O — CID 126486040

IUPAC4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine
SMILESCCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(Br)cc32)n1
InChIInChI=1S/C18H20BrN5O/c1-3-16-21-17(23-4-6-25-7-5-23)10-18(22-16)24-15-9-14(19)12(2)8-13(15)11-20-24/h8-11H,3-7H2,1-2H3
InChIKeyANQYEOPPWLXKSX-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.29
Rot. Bonds3

About 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine

4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine (PubChem CID 126486040) has the molecular formula C18H20BrN5O and a molecular weight of 402.30 g/mol. Its IUPAC name is 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine
PubChem CID126486040
Molecular FormulaC18H20BrN5O
Molecular Weight402.30 g/mol
Exact Mass401.09
IUPAC Name4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine
SMILESCCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(Br)cc32)n1
InChIInChI=1S/C18H20BrN5O/c1-3-16-21-17(23-4-6-25-7-5-23)10-18(22-16)24-15-9-14(19)12(2)8-13(15)11-20-24/h8-11H,3-7H2,1-2H3
InChIKeyANQYEOPPWLXKSX-UHFFFAOYSA-N
XLogP3.29
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine (CID 126486040) is 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine is CCc1nc(N2CCOCC2)cc(-n2ncc3cc(C)c(Br)cc32)n1.
What is the InChIKey of 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine?
The InChIKey is ANQYEOPPWLXKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O/c1-3-16-21-17(23-4-6-25-7-5-23)10-18(22-16)24-15-9-14(19)12(2)8-13(15)11-20-24/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine?
4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine has a molecular weight of 402.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-bromo-5-methylindazol-1-yl)-2-ethylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 126486040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).