(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol

C14H21FN4O2 — CID 164637120

IUPAC(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
SMILESO[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H21FN4O2/c15-12-10-16-14(19-4-1-2-11(20)3-5-19)17-13(12)18-6-8-21-9-7-18/h10-11,20H,1-9H2/t11-/m0/s1
InChIKeyFEUFDMKTSBLRDH-NSHDSACASA-N
MW296.35 g/mol
LogP0.80
Rot. Bonds2

About (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol

(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol (PubChem CID 164637120) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol.

Molecular Properties

Compound Name(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
PubChem CID164637120
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
SMILESO[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1
InChIInChI=1S/C14H21FN4O2/c15-12-10-16-14(19-4-1-2-11(20)3-5-19)17-13(12)18-6-8-21-9-7-18/h10-11,20H,1-9H2/t11-/m0/s1
InChIKeyFEUFDMKTSBLRDH-NSHDSACASA-N
XLogP0.80
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol?
The IUPAC name of (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol (CID 164637120) is (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol.
What is the SMILES notation for (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol?
The canonical SMILES for (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol is O[C@H]1CCCN(c2ncc(F)c(N3CCOCC3)n2)CC1.
What is the InChIKey of (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol?
The InChIKey is FEUFDMKTSBLRDH-NSHDSACASA-N. The full InChI is InChI=1S/C14H21FN4O2/c15-12-10-16-14(19-4-1-2-11(20)3-5-19)17-13(12)18-6-8-21-9-7-18/h10-11,20H,1-9H2/t11-/m0/s1.
What are the key properties of (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol?
(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol has a molecular weight of 296.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol is sourced from PubChem (CID 164637120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).