5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine

C17H28FN5 — CID 50968554

IUPAC5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC1(C)CC(N2CCN(c3ncc(F)cn3)CC2)CC(C)(C)N1
InChIInChI=1S/C17H28FN5/c1-16(2)9-14(10-17(3,4)21-16)22-5-7-23(8-6-22)15-19-11-13(18)12-20-15/h11-12,14,21H,5-10H2,1-4H3
InChIKeySWUQVELZTSSMMS-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.05
Rot. Bonds2

About 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine

5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 50968554) has the molecular formula C17H28FN5 and a molecular weight of 321.44 g/mol. Its IUPAC name is 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID50968554
Molecular FormulaC17H28FN5
Molecular Weight321.44 g/mol
Exact Mass321.23
IUPAC Name5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCC1(C)CC(N2CCN(c3ncc(F)cn3)CC2)CC(C)(C)N1
InChIInChI=1S/C17H28FN5/c1-16(2)9-14(10-17(3,4)21-16)22-5-7-23(8-6-22)15-19-11-13(18)12-20-15/h11-12,14,21H,5-10H2,1-4H3
InChIKeySWUQVELZTSSMMS-UHFFFAOYSA-N
XLogP2.05
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460080
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-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoropyrimidin-2-amine
CID 112703113
5-fluoro-N~4~-methyl-N~2~-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pyrimidine-2,4-diamine diformate
CID 131896948
N-{1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl}-N,N',N'-trimethylethane-1,2-diamine
CID 132421179
1-[(2S)-5-(5-fluoropyrimidin-2-yl)-1-propan-2-yl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 134690425
5-fluoro-N~4~,N~4~-dimethyl-N~2~-{[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl}pyrimidine-2,4-diamine
CID 135119590

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine (CID 50968554) is 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine is CC1(C)CC(N2CCN(c3ncc(F)cn3)CC2)CC(C)(C)N1.
What is the InChIKey of 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is SWUQVELZTSSMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN5/c1-16(2)9-14(10-17(3,4)21-16)22-5-7-23(8-6-22)15-19-11-13(18)12-20-15/h11-12,14,21H,5-10H2,1-4H3.
What are the key properties of 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 321.44 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 50968554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).