4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine

C12H14FN5O — CID 621876

IUPAC4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cn(-c2nc(N3CCOCC3)ncc2F)cn1
InChIInChI=1S/C12H14FN5O/c1-9-7-18(8-15-9)11-10(13)6-14-12(16-11)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3
InChIKeySEKIJCHORAEFDL-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.95
Rot. Bonds2

About 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine

4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 621876) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine
PubChem CID621876
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine
SMILESCc1cn(-c2nc(N3CCOCC3)ncc2F)cn1
InChIInChI=1S/C12H14FN5O/c1-9-7-18(8-15-9)11-10(13)6-14-12(16-11)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3
InChIKeySEKIJCHORAEFDL-UHFFFAOYSA-N
XLogP0.95
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine (CID 621876) is 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine is Cc1cn(-c2nc(N3CCOCC3)ncc2F)cn1.
What is the InChIKey of 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is SEKIJCHORAEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-9-7-18(8-15-9)11-10(13)6-14-12(16-11)17-2-4-19-5-3-17/h6-8H,2-5H2,1H3.
What are the key properties of 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine?
4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 263.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-(4-methylimidazol-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 621876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).