2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine

C12H18ClFN4 — CID 123213013

IUPAC2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1
InChIInChI=1S/C12H18ClFN4/c1-7-4-8(5-12(2,3)18-7)16-10-9(14)6-15-11(13)17-10/h6-8,18H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyZXPJJTKJZQDUPY-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 123213013) has the molecular formula C12H18ClFN4 and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID123213013
Molecular FormulaC12H18ClFN4
Molecular Weight272.75 g/mol
Exact Mass272.12
IUPAC Name2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1
InChIInChI=1S/C12H18ClFN4/c1-7-4-8(5-12(2,3)18-7)16-10-9(14)6-15-11(13)17-10/h6-8,18H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyZXPJJTKJZQDUPY-UHFFFAOYSA-N
XLogP2.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine (CID 123213013) is 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine is CC1CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1.
What is the InChIKey of 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is ZXPJJTKJZQDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN4/c1-7-4-8(5-12(2,3)18-7)16-10-9(14)6-15-11(13)17-10/h6-8,18H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 272.75 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2,2,6-trimethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 123213013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).