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

C15H17FN4 — CID 163351970

IUPAC4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C15H17FN4/c1-12-10-15(18-11-17-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3
InChIKeyYVSBLYZJIHZNQN-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.25
Rot. Bonds2

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

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 163351970) has the molecular formula C15H17FN4 and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID163351970
Molecular FormulaC15H17FN4
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C15H17FN4/c1-12-10-15(18-11-17-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3
InChIKeyYVSBLYZJIHZNQN-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 112857944
6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 78929785
4-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidine
CID 84591972
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(2-methylimidazol-1-yl)pyrimidine
CID 154829213
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyrimidine
CID 35271779
4-(2-fluorophenoxy)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 83289222
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
2-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylpyridin-4-amine
CID 83269671
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 171335728
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109353024
6-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpyrimidin-4-one
CID 171334290
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine (CID 163351970) is 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is YVSBLYZJIHZNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4/c1-12-10-15(18-11-17-12)20-8-6-19(7-9-20)14-5-3-2-4-13(14)16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 272.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 163351970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).