5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine

C13H22FN5 — CID 67144388

IUPAC5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(N)ncc2F)CC(C)(C)N1
InChIInChI=1S/C13H22FN5/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(14)7-16-11(15)18-10/h7-8,19H,5-6H2,1-4H3,(H3,15,16,17,18)
InChIKeyHMQZTQGSBIJKGU-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.92
Rot. Bonds2

About 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 67144388) has the molecular formula C13H22FN5 and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID67144388
Molecular FormulaC13H22FN5
Molecular Weight267.35 g/mol
Exact Mass267.19
IUPAC Name5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(N)ncc2F)CC(C)(C)N1
InChIInChI=1S/C13H22FN5/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(14)7-16-11(15)18-10/h7-8,19H,5-6H2,1-4H3,(H3,15,16,17,18)
InChIKeyHMQZTQGSBIJKGU-UHFFFAOYSA-N
XLogP1.92
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 67144388) is 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine is CC1(C)CC(Nc2nc(N)ncc2F)CC(C)(C)N1.
What is the InChIKey of 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is HMQZTQGSBIJKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5/c1-12(2)5-8(6-13(3,4)19-12)17-10-9(14)7-16-11(15)18-10/h7-8,19H,5-6H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 267.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67144388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).