N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine

C20H27N5O3S — CID 54586041

IUPACN-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCN1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C20H27N5O3S/c1-24-10-7-17(8-11-24)22-20-21-9-6-19(23-20)16-2-4-18(5-3-16)29(26,27)25-12-14-28-15-13-25/h2-6,9,17H,7-8,10-15H2,1H3,(H,21,22,23)
InChIKeyTXYIXJYXZIWVAL-UHFFFAOYSA-N
MW417.54 g/mol
LogP1.67
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine

N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 54586041) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
PubChem CID54586041
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
SMILESCN1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C20H27N5O3S/c1-24-10-7-17(8-11-24)22-20-21-9-6-19(23-20)16-2-4-18(5-3-16)29(26,27)25-12-14-28-15-13-25/h2-6,9,17H,7-8,10-15H2,1H3,(H,21,22,23)
InChIKeyTXYIXJYXZIWVAL-UHFFFAOYSA-N
XLogP1.67
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
4-(4-chlorophenyl)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 54583005
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 57433727
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68727791
2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
N-(1-ethylpiperidin-4-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 8566045
4-(cyclopentylamino)-2-[[1-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]sulfonylpiperidin-4-yl]amino]pyrimidine-5-carbonitrile
CID 164855040
4-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione
CID 18523941
1-[4-[4-[[4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzoyl]piperazin-1-yl]ethanone
CID 58716646
1-[4-[4-[[4-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylphenyl]ethenol
CID 89002210

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (CID 54586041) is N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is CN1CCC(Nc2nccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is TXYIXJYXZIWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-24-10-7-17(8-11-24)22-20-21-9-6-19(23-20)16-2-4-18(5-3-16)29(26,27)25-12-14-28-15-13-25/h2-6,9,17H,7-8,10-15H2,1H3,(H,21,22,23).
What are the key properties of N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?
N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 417.54 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 54586041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).