2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine

C14H23FN4 — CID 20701261

IUPAC2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESCC(C)(C)CCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H23FN4/c1-14(2,3)4-5-18-6-8-19(9-7-18)13-16-10-12(15)11-17-13/h10-11H,4-9H2,1-3H3
InChIKeyFMWGRLOFBMPTPO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.17
Rot. Bonds3

About 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine

2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine (PubChem CID 20701261) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine
PubChem CID20701261
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine
SMILESCC(C)(C)CCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C14H23FN4/c1-14(2,3)4-5-18-6-8-19(9-7-18)13-16-10-12(15)11-17-13/h10-11H,4-9H2,1-3H3
InChIKeyFMWGRLOFBMPTPO-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
2-[4-(4-Cyclohexyl-butyl)-piperazin-1-yl]-5-fluoro-pyrimidine
CID 15729908
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
2-(4-Methylpiperazin-1-Yl)Pyrimidin-5-Ylboronic Acid
CID 53216596
2-(4,4-Dimethylpiperazin-4-ium-1-yl)pyrimidine iodide
CID 11034544
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
2-Methoxy-5-[[4-(2-methylprop-2-enyl)piperazin-1-yl]methyl]pyrimidine
CID 73945347
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine (CID 20701261) is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine is CC(C)(C)CCN1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
The InChIKey is FMWGRLOFBMPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-14(2,3)4-5-18-6-8-19(9-7-18)13-16-10-12(15)11-17-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine?
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine has a molecular weight of 266.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 20701261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).