5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine

C12H18FN3O — CID 134532002

IUPAC5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine
SMILESCC(C)OC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O/c1-9(2)17-11-4-3-5-16(8-11)12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyXDVHRRLBMJCMQQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.01
Rot. Bonds3

About 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine

5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 134532002) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID134532002
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine
SMILESCC(C)OC1CCCN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H18FN3O/c1-9(2)17-11-4-3-5-16(8-11)12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyXDVHRRLBMJCMQQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine (CID 134532002) is 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine is CC(C)OC1CCCN(c2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is XDVHRRLBMJCMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(2)17-11-4-3-5-16(8-11)12-14-6-10(13)7-15-12/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine?
5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 239.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-propan-2-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 134532002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).