4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine

C11H15ClFN3 — CID 86607467

IUPAC4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncnc(Cl)c1F
InChIInChI=1S/C11H15ClFN3/c1-7-4-3-5-8(2)16(7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyFEVZPPBNLNVRPH-OCAPTIKFSA-N
MW243.71 g/mol
LogP3.04
Rot. Bonds1

About 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine

4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine (PubChem CID 86607467) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine
PubChem CID86607467
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine
SMILESC[C@@H]1CCC[C@H](C)N1c1ncnc(Cl)c1F
InChIInChI=1S/C11H15ClFN3/c1-7-4-3-5-8(2)16(7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3/t7-,8+
InChIKeyFEVZPPBNLNVRPH-OCAPTIKFSA-N
XLogP3.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine (CID 86607467) is 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine is C[C@@H]1CCC[C@H](C)N1c1ncnc(Cl)c1F.
What is the InChIKey of 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine?
The InChIKey is FEVZPPBNLNVRPH-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-7-4-3-5-8(2)16(7)11-9(13)10(12)14-6-15-11/h6-8H,3-5H2,1-2H3/t7-,8+.
What are the key properties of 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine?
4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine has a molecular weight of 243.71 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 86607467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).