2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine

C16H20N4O — CID 6487569

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
SMILESCOc1ccccc1N1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H20N4O/c1-13-7-8-17-16(18-13)20-11-9-19(10-12-20)14-5-3-4-6-15(14)21-2/h3-8H,9-12H2,1-2H3
InChIKeySPFHRFSLSIMJBJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds3

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine (PubChem CID 6487569) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
PubChem CID6487569
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
SMILESCOc1ccccc1N1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C16H20N4O/c1-13-7-8-17-16(18-13)20-11-9-19(10-12-20)14-5-3-4-6-15(14)21-2/h3-8H,9-12H2,1-2H3
InChIKeySPFHRFSLSIMJBJ-UHFFFAOYSA-N
XLogP2.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine (CID 6487569) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine is COc1ccccc1N1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine?
The InChIKey is SPFHRFSLSIMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-7-8-17-16(18-13)20-11-9-19(10-12-20)14-5-3-4-6-15(14)21-2/h3-8H,9-12H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine has a molecular weight of 284.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 6487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).