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

C16H20N4O — CID 155823172

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccccc1N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C16H20N4O/c1-13-17-8-7-16(18-13)20-11-9-19(10-12-20)14-5-3-4-6-15(14)21-2/h3-8H,9-12H2,1-2H3
InChIKeyVLPSMACTDXNIMN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine (PubChem CID 155823172) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
PubChem CID155823172
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
SMILESCOc1ccccc1N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C16H20N4O/c1-13-17-8-7-16(18-13)20-11-9-19(10-12-20)14-5-3-4-6-15(14)21-2/h3-8H,9-12H2,1-2H3
InChIKeyVLPSMACTDXNIMN-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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Related Compounds

N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112893579
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 171335729
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112875375
4-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 136517944
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 155800473
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
N-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112885578
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine (CID 155823172) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine is COc1ccccc1N1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
The InChIKey is VLPSMACTDXNIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-17-8-7-16(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 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-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 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 155823172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).