5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine

C18H20F2N8O2 — CID 71300296

IUPAC5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
InChIKeyNFYAORHLODKCQX-NSHDSACASA-N
MW418.41 g/mol
LogP2.30
Rot. Bonds6

About 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine

5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 71300296) has the molecular formula C18H20F2N8O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID71300296
Molecular FormulaC18H20F2N8O2
Molecular Weight418.41 g/mol
Exact Mass418.17
IUPAC Name5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1
InChIKeyNFYAORHLODKCQX-NSHDSACASA-N
XLogP2.30
TPSA113.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine (CID 71300296) is 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine is Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)n[nH]1.
What is the InChIKey of 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is NFYAORHLODKCQX-NSHDSACASA-N. The full InChI is InChI=1S/C18H20F2N8O2/c1-10-7-13(27-26-10)23-18-24-16(28-3-5-29-6-4-28)14(20)17(25-18)30-11(2)15-21-8-12(19)9-22-15/h7-9,11H,3-6H2,1-2H3,(H2,23,24,25,26,27)/t11-/m0/s1.
What are the key properties of 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine?
5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 418.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 71300296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).