5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

C14H24FN5 — CID 67144247

IUPAC5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(N)ncc2F)CC1(C)C
InChIInChI=1S/C14H24FN5/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(15)8-17-12(16)19-11/h8-9H,6-7H2,1-5H3,(H3,16,17,18,19)
InChIKeyQNNRZSICACZKGZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.26
Rot. Bonds2

About 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 67144247) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID67144247
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(N)ncc2F)CC1(C)C
InChIInChI=1S/C14H24FN5/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(15)8-17-12(16)19-11/h8-9H,6-7H2,1-5H3,(H3,16,17,18,19)
InChIKeyQNNRZSICACZKGZ-UHFFFAOYSA-N
XLogP2.26
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
5-Iodo-N4-(trans-4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 68354812
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
N~4~-ethyl-N~2~-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50971805
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
2-N,4-N-dimethyl-2-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrimidine-2,4-diamine
CID 95127808
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 97130364

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 67144247) is 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is CN1C(C)(C)CC(Nc2nc(N)ncc2F)CC1(C)C.
What is the InChIKey of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is QNNRZSICACZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-13(2)6-9(7-14(3,4)20(13)5)18-11-10(15)8-17-12(16)19-11/h8-9H,6-7H2,1-5H3,(H3,16,17,18,19).
What are the key properties of 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67144247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).