4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine

C17H26FN5O — CID 97443668

IUPAC4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1CCCCN1C1CN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H26FN5O/c1-13-4-2-3-5-23(13)14-11-22(12-14)17-19-10-15(18)16(20-17)21-6-8-24-9-7-21/h10,13-14H,2-9,11-12H2,1H3/t13-/m0/s1
InChIKeyNTGHGHBMXOGXFP-ZDUSSCGKSA-N
MW335.43 g/mol
LogP1.52
Rot. Bonds3

About 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine

4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 97443668) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID97443668
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine
SMILESC[C@H]1CCCCN1C1CN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C17H26FN5O/c1-13-4-2-3-5-23(13)14-11-22(12-14)17-19-10-15(18)16(20-17)21-6-8-24-9-7-21/h10,13-14H,2-9,11-12H2,1H3/t13-/m0/s1
InChIKeyNTGHGHBMXOGXFP-ZDUSSCGKSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine (CID 97443668) is 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine is C[C@H]1CCCCN1C1CN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is NTGHGHBMXOGXFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-13-4-2-3-5-23(13)14-11-22(12-14)17-19-10-15(18)16(20-17)21-6-8-24-9-7-21/h10,13-14H,2-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine?
4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 335.43 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 97443668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).