N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine

C19H24N6O5S — CID 141276032

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C19H24N6O5S/c26-25(27)17-18(20-14-21-19(17)23-8-2-1-3-9-23)22-15-4-6-16(7-5-15)31(28,29)24-10-12-30-13-11-24/h4-7,14H,1-3,8-13H2,(H,20,21,22)
InChIKeyWJMYACDXXVBXQV-UHFFFAOYSA-N
MW448.51 g/mol
LogP2.14
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine

N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 141276032) has the molecular formula C19H24N6O5S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID141276032
Molecular FormulaC19H24N6O5S
Molecular Weight448.51 g/mol
Exact Mass448.15
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncnc1N1CCCCC1
InChIInChI=1S/C19H24N6O5S/c26-25(27)17-18(20-14-21-19(17)23-8-2-1-3-9-23)22-15-4-6-16(7-5-15)31(28,29)24-10-12-30-13-11-24/h4-7,14H,1-3,8-13H2,(H,20,21,22)
InChIKeyWJMYACDXXVBXQV-UHFFFAOYSA-N
XLogP2.14
TPSA130.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

6-(azepan-1-yl)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 23489763
N-(3,4-dichlorophenyl)-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23485427
6-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitropyrimidin-4-amine
CID 23489743
N-(4-butoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489348
5-nitro-6-piperidin-1-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-4-amine
CID 141276038
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
N-(2,4-dichlorophenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489406
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
1-[6-(4-cyclohexylanilino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107687
6-(4-methylpiperazin-1-yl)-5-nitro-N-phenylpyrimidin-4-amine
CID 23490122
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 22532903
5-nitro-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23489205

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine (CID 141276032) is N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine is O=[N+]([O-])c1c(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncnc1N1CCCCC1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is WJMYACDXXVBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O5S/c26-25(27)17-18(20-14-21-19(17)23-8-2-1-3-9-23)22-15-4-6-16(7-5-15)31(28,29)24-10-12-30-13-11-24/h4-7,14H,1-3,8-13H2,(H,20,21,22).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 448.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 141276032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).