2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine

C11H15ClFN3 — CID 79081860

IUPAC2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1(C)CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H15ClFN3/c1-11(2)3-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7H,3-6H2,1-2H3
InChIKeyFZAJRUDWAZPTOU-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine

2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine (PubChem CID 79081860) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
PubChem CID79081860
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
SMILESCC1(C)CCN(c2nc(Cl)ncc2F)CC1
InChIInChI=1S/C11H15ClFN3/c1-11(2)3-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7H,3-6H2,1-2H3
InChIKeyFZAJRUDWAZPTOU-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine (CID 79081860) is 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine is CC1(C)CCN(c2nc(Cl)ncc2F)CC1.
What is the InChIKey of 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
The InChIKey is FZAJRUDWAZPTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-11(2)3-5-16(6-4-11)9-8(13)7-14-10(12)15-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine?
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine has a molecular weight of 243.71 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79081860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).