2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine

C14H21FN4 — CID 57008328

IUPAC2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(C3CCCCC3)CC2)nc1
InChIInChI=1S/C14H21FN4/c15-12-10-16-14(17-11-12)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h10-11,13H,1-9H2
InChIKeyZTQRYPDYBMUXDU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds2

About 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine

2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine (PubChem CID 57008328) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine
PubChem CID57008328
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine
SMILESFc1cnc(N2CCN(C3CCCCC3)CC2)nc1
InChIInChI=1S/C14H21FN4/c15-12-10-16-14(17-11-12)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h10-11,13H,1-9H2
InChIKeyZTQRYPDYBMUXDU-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
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
1-Cyclohexyl-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butylamine
CID 15729927
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-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
N-cyclohexyl-N-methyl-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 39999051
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
1-[(2S,3aR,7aS)-5-(5-fluoropyrimidin-2-yl)-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 98777341
8-(2,2,2-Trifluoroethyl)-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octane
CID 134790071
2-(4-Pentylpiperazin-1-yl)pyrimidine
CID 387857

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine (CID 57008328) is 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine is Fc1cnc(N2CCN(C3CCCCC3)CC2)nc1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine?
The InChIKey is ZTQRYPDYBMUXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c15-12-10-16-14(17-11-12)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h10-11,13H,1-9H2.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine?
2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine has a molecular weight of 264.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-5-fluoropyrimidine is sourced from PubChem (CID 57008328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).