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

C15H18FN5O — CID 166604747

IUPAC2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1
InChIInChI=1S/C15H18FN5O/c1-22-14-2-3-18-15(19-14)21-6-4-20(5-7-21)11-12-8-13(16)10-17-9-12/h2-3,8-10H,4-7,11H2,1H3
InChIKeyCQVLZLYGGCFRDH-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.34
Rot. Bonds4

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

2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine (PubChem CID 166604747) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
PubChem CID166604747
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1
InChIInChI=1S/C15H18FN5O/c1-22-14-2-3-18-15(19-14)21-6-4-20(5-7-21)11-12-8-13(16)10-17-9-12/h2-3,8-10H,4-7,11H2,1H3
InChIKeyCQVLZLYGGCFRDH-UHFFFAOYSA-N
XLogP1.34
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 166604628
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 166604849
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
CID 126767686
N-(4-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 17448855
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 71977837
2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-4-methoxypyrimidine
CID 171911279
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine (CID 166604747) is 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCN(Cc3cncc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine?
The InChIKey is CQVLZLYGGCFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-22-14-2-3-18-15(19-14)21-6-4-20(5-7-21)11-12-8-13(16)10-17-9-12/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-methoxypyrimidine?
2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine has a molecular weight of 303.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 166604747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).