2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

C17H22BrN5O2S — CID 18566572

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H22BrN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyWONXFHXASOMMJA-UHFFFAOYSA-N
MW440.37 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 18566572) has the molecular formula C17H22BrN5O2S and a molecular weight of 440.37 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID18566572
Molecular FormulaC17H22BrN5O2S
Molecular Weight440.37 g/mol
Exact Mass439.07
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H22BrN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyWONXFHXASOMMJA-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-({6-[(3-bromophenyl)amino]-4-pyrimidinyl}amino)-N-methylbenzenesulfonamide
CID 68304398
4-bromo-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
CID 717552
N-(4-{[4-(ethylamino)-6-methylpyrimidin-2-yl]amino}phenyl)benzenesulfonamide
CID 44522245
N-ethyl-2-(4-((4-fluorophenyl)sulfonyl)piperazin-1-yl)-6-methylpyrimidin-4-amine
CID 18566559
sulfanilamide, n(sup 1)-(5-bromo-2,6-dimethyl-4-pyrimidinyl)-, sodium salt
CID 199316
2-{4-[(4-Fluorophenyl)sulfonyl]piperazin-1-yl}-4,6-dimethylpyrimidine
CID 5300805
2-[4-(4-Chlorobenzenesulfonyl)piperazin-1-YL]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566560
N-ethyl-2-[4-(4-iodobenzenesulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 18566561
N-Ethyl-4-[4-(4-fluorobenzenesulfonyl)piperazin-1-YL]-6-methylpyrimidin-2-amine
CID 50947640
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 156011224
N-ethyl-6-methyl-2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 156017837
4-bromo-N-[4-[(2-piperazin-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide;hydrochloride
CID 162664739

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine (CID 18566572) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is WONXFHXASOMMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O2S/c1-3-19-16-12-13(2)20-17(21-16)22-8-10-23(11-9-22)26(24,25)15-6-4-14(18)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 440.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 18566572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).