N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C21H26N6O3S — CID 110252370

IUPACN-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc2)n1
InChIInChI=1S/C21H26N6O3S/c1-13-10-14(2)24-21(23-13)25-18-7-8-19(22-11-18)17-6-5-9-27(12-17)31(28,29)20-15(3)26-30-16(20)4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,24,25)
InChIKeyGQLFWEPRXONMDZ-UHFFFAOYSA-N
MW442.55 g/mol
LogP3.41
Rot. Bonds5

About N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 110252370) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID110252370
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC NameN-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc2)n1
InChIInChI=1S/C21H26N6O3S/c1-13-10-14(2)24-21(23-13)25-18-7-8-19(22-11-18)17-6-5-9-27(12-17)31(28,29)20-15(3)26-30-16(20)4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,24,25)
InChIKeyGQLFWEPRXONMDZ-UHFFFAOYSA-N
XLogP3.41
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
2-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-6-methyl-N-pyridin-2-ylpyridin-4-amine
CID 95834966
2-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-3-yl]-6-methyl-N-(4-methylphenyl)pyridin-4-amine
CID 124946726
4-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837996
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265540
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
3,5-dimethyl-4-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 97199064
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-amine
CID 42521374
1-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110252329
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 110252370) is N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(C3CCCN(S(=O)(=O)c4c(C)noc4C)C3)nc2)n1.
What is the InChIKey of N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is GQLFWEPRXONMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-13-10-14(2)24-21(23-13)25-18-7-8-19(22-11-18)17-6-5-9-27(12-17)31(28,29)20-15(3)26-30-16(20)4/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H,23,24,25).
What are the key properties of N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 442.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 110252370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).