2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine

C14H22ClFN4 — CID 59442709

IUPAC2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCN1C(C)(C)CC(Nc2nc(Cl)ncc2F)CC1(C)C
InChIInChI=1S/C14H22ClFN4/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(16)8-17-12(15)19-11/h8-9H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyPCPPHQICRFLBPM-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 59442709) has the molecular formula C14H22ClFN4 and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID59442709
Molecular FormulaC14H22ClFN4
Molecular Weight300.81 g/mol
Exact Mass300.15
IUPAC Name2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCN1C(C)(C)CC(Nc2nc(Cl)ncc2F)CC1(C)C
InChIInChI=1S/C14H22ClFN4/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(16)8-17-12(15)19-11/h8-9H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyPCPPHQICRFLBPM-UHFFFAOYSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine (CID 59442709) is 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine is CN1C(C)(C)CC(Nc2nc(Cl)ncc2F)CC1(C)C.
What is the InChIKey of 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is PCPPHQICRFLBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN4/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(16)8-17-12(15)19-11/h8-9H,6-7H2,1-5H3,(H,17,18,19).
What are the key properties of 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 300.81 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 59442709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).