4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine

C14H17BrN4O3S2 — CID 122332434

IUPAC4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc(C)n1
InChIInChI=1S/C14H17BrN4O3S2/c1-10-16-12(9-13(17-10)22-2)18-5-7-19(8-6-18)24(20,21)14-4-3-11(15)23-14/h3-4,9H,5-8H2,1-2H3
InChIKeyMUGNYSWGVWKJGP-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.13
Rot. Bonds4

About 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine

4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine (PubChem CID 122332434) has the molecular formula C14H17BrN4O3S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
PubChem CID122332434
Molecular FormulaC14H17BrN4O3S2
Molecular Weight433.35 g/mol
Exact Mass431.99
IUPAC Name4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
SMILESCOc1cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc(C)n1
InChIInChI=1S/C14H17BrN4O3S2/c1-10-16-12(9-13(17-10)22-2)18-5-7-19(8-6-18)24(20,21)14-4-3-11(15)23-14/h3-4,9H,5-8H2,1-2H3
InChIKeyMUGNYSWGVWKJGP-UHFFFAOYSA-N
XLogP2.13
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 121035192
N-[[5-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122332471
6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methyl-N-pyridin-2-ylpyrimidin-4-amine
CID 122350061
4-methoxy-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidine
CID 42473791
4-methoxy-2-methyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121035183
1-(5-bromothiophen-2-yl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazine
CID 3366921
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 122348515
1-[6-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 122335073
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 122346739
1-(5-bromothiophen-2-yl)sulfonyl-4-(6-ethoxypyrazin-2-yl)-1,4-diazepane
CID 133375031
4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-methoxy-2-methylpyrimidine
CID 122332455
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine?
The IUPAC name of 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine (CID 122332434) is 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine is COc1cc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine?
The InChIKey is MUGNYSWGVWKJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O3S2/c1-10-16-12(9-13(17-10)22-2)18-5-7-19(8-6-18)24(20,21)14-4-3-11(15)23-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine?
4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine has a molecular weight of 433.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 122332434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).