2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine

C15H18FN5 — CID 166604628

IUPAC2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1
InChIInChI=1S/C15H18FN5/c1-12-2-3-18-15(19-12)21-6-4-20(5-7-21)11-13-8-14(16)10-17-9-13/h2-3,8-10H,4-7,11H2,1H3
InChIKeyGUNKMUUEYZMFPQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.64
Rot. Bonds3

About 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine

2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine (PubChem CID 166604628) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
PubChem CID166604628
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
SMILESCc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1
InChIInChI=1S/C15H18FN5/c1-12-2-3-18-15(19-12)21-6-4-20(5-7-21)11-13-8-14(16)10-17-9-13/h2-3,8-10H,4-7,11H2,1H3
InChIKeyGUNKMUUEYZMFPQ-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 166604747
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 166604849
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
4-methyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyrimidine
CID 133304383
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-[(3S)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidine
CID 42394785
1-[(2,4-difluorophenyl)methyl]-4-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 165433313
1-(4,6-dimethylpyrimidin-2-yl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 78845397
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
CID 171997094
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine (CID 166604628) is 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine is Cc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine?
The InChIKey is GUNKMUUEYZMFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-12-2-3-18-15(19-12)21-6-4-20(5-7-21)11-13-8-14(16)10-17-9-13/h2-3,8-10H,4-7,11H2,1H3.
What are the key properties of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine?
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine has a molecular weight of 287.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 166604628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).