4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine

C18H19FN6 — CID 154829213

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nccn1-c1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C18H19FN6/c1-14-20-6-7-25(14)18-12-17(21-13-22-18)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-7,12-13H,8-11H2,1H3
InChIKeyMBGWHEHGBYHPMS-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.44
Rot. Bonds3

About 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine (PubChem CID 154829213) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
PubChem CID154829213
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nccn1-c1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C18H19FN6/c1-14-20-6-7-25(14)18-12-17(21-13-22-18)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-7,12-13H,8-11H2,1H3
InChIKeyMBGWHEHGBYHPMS-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(2-methylimidazol-1-yl)pyrimidine
CID 122338868
2-(4-fluorophenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338730
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122338711
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133298868

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine (CID 154829213) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine is Cc1nccn1-c1cc(N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
The InChIKey is MBGWHEHGBYHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-14-20-6-7-25(14)18-12-17(21-13-22-18)24-10-8-23(9-11-24)16-5-3-2-4-15(16)19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine has a molecular weight of 338.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 154829213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).