4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

C11H17N3O3S — CID 90245774

IUPAC4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3
InChIKeyYWCJCTOVLMFFQV-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.59
Rot. Bonds3

About 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine

4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 90245774) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID90245774
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1
InChIInChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3
InChIKeyYWCJCTOVLMFFQV-UHFFFAOYSA-N
XLogP0.59
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 46701353
3-(6-methylpyrimidin-4-yl)oxycyclopentan-1-amine
CID 79466130
(5E)-5-[[3-[6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87223728
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
6-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-N-(trifluoromethyl)pyrimidin-4-amine
CID 164617859
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
CID 69228289
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 176913009
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
CID 146636294
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 100626916

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine (CID 90245774) is 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is Cc1cc(OC2CCN(S(C)(=O)=O)CC2)ncn1.
What is the InChIKey of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is YWCJCTOVLMFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9-7-11(13-8-12-9)17-10-3-5-14(6-4-10)18(2,15)16/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine?
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 271.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 90245774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).