4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine

C17H22N4OS — CID 155800473

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1ccccc1N1CCN(c2cc(C)nc(SC)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-13-12-16(19-17(18-13)23-3)21-10-8-20(9-11-21)14-6-4-5-7-15(14)22-2/h4-7,12H,8-11H2,1-3H3
InChIKeyCCOBZYFGFCIYKR-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.84
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 155800473) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
PubChem CID155800473
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1ccccc1N1CCN(c2cc(C)nc(SC)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-13-12-16(19-17(18-13)23-3)21-10-8-20(9-11-21)14-6-4-5-7-15(14)22-2/h4-7,12H,8-11H2,1-3H3
InChIKeyCCOBZYFGFCIYKR-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 171326447
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 3765514
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183
N-(2-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidin-4-amine
CID 112875375
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
CID 171327993
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923552
N-[(2-methoxyphenyl)methyl]-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909254
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine (CID 155800473) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine is COc1ccccc1N1CCN(c2cc(C)nc(SC)n2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is CCOBZYFGFCIYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-12-16(19-17(18-13)23-3)21-10-8-20(9-11-21)14-6-4-5-7-15(14)22-2/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 330.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 155800473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).