4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine

C19H24N6O5S — CID 46268045

IUPAC4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C19H24N6O5S/c1-15-20-18(14-19(21-15)23-10-12-30-13-11-23)22-6-8-24(9-7-22)31(28,29)17-4-2-16(3-5-17)25(26)27/h2-5,14H,6-13H2,1H3
InChIKeyUJPSMQIHOQERQX-UHFFFAOYSA-N
MW448.51 g/mol
LogP1.04
Rot. Bonds5

About 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 46268045) has the molecular formula C19H24N6O5S and a molecular weight of 448.51 g/mol. Its IUPAC name is 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID46268045
Molecular FormulaC19H24N6O5S
Molecular Weight448.51 g/mol
Exact Mass448.15
IUPAC Name4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1
InChIInChI=1S/C19H24N6O5S/c1-15-20-18(14-19(21-15)23-10-12-30-13-11-23)22-6-8-24(9-7-22)31(28,29)17-4-2-16(3-5-17)25(26)27/h2-5,14H,6-13H2,1H3
InChIKeyUJPSMQIHOQERQX-UHFFFAOYSA-N
XLogP1.04
TPSA122.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 46268139
4-[6-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 122340961
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
2-methyl-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 46268032
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
2-methyl-N-(4-methyl-2-pyridinyl)-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122350552
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzenesulfonamide
CID 46268131
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 121074909
4-[2-methyl-6-(4-nitrophenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42786779
1-(4-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 154576516
N-ethyl-4-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 122351275
4-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122340632

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine (CID 46268045) is 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1.
What is the InChIKey of 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is UJPSMQIHOQERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O5S/c1-15-20-18(14-19(21-15)23-10-12-30-13-11-23)22-6-8-24(9-7-22)31(28,29)17-4-2-16(3-5-17)25(26)27/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 448.51 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46268045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).