(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

C16H18N4O2S — CID 122259988

IUPAC(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C16H18N4O2S/c1-23-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)22-14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3
InChIKeyPYZJVGNACXMIHU-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.28
Rot. Bonds4

About (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122259988) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID122259988
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESCSc1ncccc1C(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C16H18N4O2S/c1-23-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)22-14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3
InChIKeyPYZJVGNACXMIHU-UHFFFAOYSA-N
XLogP2.28
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 122261529
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
[3-(dimethylamino)phenyl]-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259891
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 122259988) is (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is CSc1ncccc1C(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is PYZJVGNACXMIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-23-15-13(5-2-7-18-15)16(21)20-9-3-4-12(10-20)22-14-6-8-17-11-19-14/h2,5-8,11-12H,3-4,9-10H2,1H3.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 330.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122259988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).