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

C13H20ClFN4 — CID 59442725

IUPAC2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1
InChIInChI=1S/C13H20ClFN4/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(15)7-16-11(14)18-10/h7-8,19H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyJWQXDHKFVICOAN-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.99
Rot. Bonds2

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

2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 59442725) has the molecular formula C13H20ClFN4 and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID59442725
Molecular FormulaC13H20ClFN4
Molecular Weight286.78 g/mol
Exact Mass286.14
IUPAC Name2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1
InChIInChI=1S/C13H20ClFN4/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(15)7-16-11(14)18-10/h7-8,19H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyJWQXDHKFVICOAN-UHFFFAOYSA-N
XLogP2.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.99
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-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 59442725) is 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CC1(C)CC(Nc2nc(Cl)ncc2F)CC(C)(C)N1.
What is the InChIKey of 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is JWQXDHKFVICOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN4/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(15)7-16-11(14)18-10/h7-8,19H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 286.78 g/mol, XLogP of 2.99, 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-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 59442725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).