4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine

C10H14ClN3OS — CID 97163181

IUPAC4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
SMILESCc1cc(Cl)nc([S@@](=O)C2CCNCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-7-6-9(11)14-10(13-7)16(15)8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3/t16-/m0/s1
InChIKeyJVIFHAPJDVRGIJ-INIZCTEOSA-N
MW259.76 g/mol
LogP1.30
Rot. Bonds2

About 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine

4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine (PubChem CID 97163181) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
PubChem CID97163181
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
SMILESCc1cc(Cl)nc([S@@](=O)C2CCNCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-7-6-9(11)14-10(13-7)16(15)8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3/t16-/m0/s1
InChIKeyJVIFHAPJDVRGIJ-INIZCTEOSA-N
XLogP1.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
CID 71638994
4-chloro-5-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97162641
4-chloro-6-methyl-2-methylsulfinylpyrimidine
CID 156832139
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
CID 71639195
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
2-chloro-6-methyl-4-piperidin-4-ylpyridine;ethane
CID 144796408
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
tert-butyl (3R)-3-[(S)-(4-chloro-6-methylpyrimidin-2-yl)sulfinyl]pyrrolidine-1-carboxylate
CID 97176779
tert-butyl (3S)-3-[(R)-(4-chloro-6-methylpyrimidin-2-yl)sulfinyl]pyrrolidine-1-carboxylate
CID 97176782

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine (CID 97163181) is 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine is Cc1cc(Cl)nc([S@@](=O)C2CCNCC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine?
The InChIKey is JVIFHAPJDVRGIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-7-6-9(11)14-10(13-7)16(15)8-2-4-12-5-3-8/h6,8,12H,2-5H2,1H3/t16-/m0/s1.
What are the key properties of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine?
4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine has a molecular weight of 259.76 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine is sourced from PubChem (CID 97163181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).