4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine

C14H16FN5 — CID 84591972

IUPAC4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ncccc3F)CC2)ncn1
InChIInChI=1S/C14H16FN5/c1-11-9-13(18-10-17-11)19-5-7-20(8-6-19)14-12(15)3-2-4-16-14/h2-4,9-10H,5-8H2,1H3
InChIKeyJOXQTBMWXGBBIR-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.65
Rot. Bonds2

About 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine

4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 84591972) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID84591972
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ncccc3F)CC2)ncn1
InChIInChI=1S/C14H16FN5/c1-11-9-13(18-10-17-11)19-5-7-20(8-6-19)14-12(15)3-2-4-16-14/h2-4,9-10H,5-8H2,1H3
InChIKeyJOXQTBMWXGBBIR-UHFFFAOYSA-N
XLogP1.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 165433573
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108773538
4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
(2-chloro-6-fluorophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108731836
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 62734933
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 61225493
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 171335728

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine (CID 84591972) is 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCN(c3ncccc3F)CC2)ncn1.
What is the InChIKey of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is JOXQTBMWXGBBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-11-9-13(18-10-17-11)19-5-7-20(8-6-19)14-12(15)3-2-4-16-14/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 273.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 84591972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).