[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

C17H20N4O3S — CID 122261529

IUPAC[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cccnc3SC)C2)n1
InChIInChI=1S/C17H20N4O3S/c1-23-17-19-9-7-14(20-17)24-12-5-4-10-21(11-12)16(22)13-6-3-8-18-15(13)25-2/h3,6-9,12H,4-5,10-11H2,1-2H3
InChIKeyBDBSCDUQDYSSLI-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.29
Rot. Bonds5

About [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 122261529) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID122261529
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCOc1nccc(OC2CCCN(C(=O)c3cccnc3SC)C2)n1
InChIInChI=1S/C17H20N4O3S/c1-23-17-19-9-7-14(20-17)24-12-5-4-10-21(11-12)16(22)13-6-3-8-18-15(13)25-2/h3,6-9,12H,4-5,10-11H2,1-2H3
InChIKeyBDBSCDUQDYSSLI-UHFFFAOYSA-N
XLogP2.29
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 122261529) is [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is COc1nccc(OC2CCCN(C(=O)c3cccnc3SC)C2)n1.
What is the InChIKey of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is BDBSCDUQDYSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-23-17-19-9-7-14(20-17)24-12-5-4-10-21(11-12)16(22)13-6-3-8-18-15(13)25-2/h3,6-9,12H,4-5,10-11H2,1-2H3.
What are the key properties of [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 360.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 122261529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).