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

C11H16ClN3OS — CID 97163199

IUPAC4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
SMILESCc1cc(Cl)nc([S@@](=O)CC2CCNCC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-8-6-10(12)15-11(14-8)17(16)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3/t17-/m0/s1
InChIKeyBSSGMDVUOATRSO-KRWDZBQOSA-N
MW273.79 g/mol
LogP1.55
Rot. Bonds3

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

4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine (PubChem CID 97163199) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
PubChem CID97163199
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
SMILESCc1cc(Cl)nc([S@@](=O)CC2CCNCC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-8-6-10(12)15-11(14-8)17(16)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3/t17-/m0/s1
InChIKeyBSSGMDVUOATRSO-KRWDZBQOSA-N
XLogP1.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97163181
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
CID 71639195
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4-chloro-6-methyl-2-(piperidin-4-ylmethylsulfonyl)pyrimidine
CID 71639181
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
4-chloro-6-methyl-2-methylsulfinylpyrimidine
CID 156832139
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
2-chloro-3-[(R)-piperidin-4-ylmethylsulfinyl]quinoxaline
CID 97163529
tert-butyl 2-[(4-chloro-6-methylpyrimidin-2-yl)sulfinylmethyl]piperidine-1-carboxylate
CID 71634761
2-chloro-6-methyl-4-piperidin-4-ylpyridine;ethane
CID 144796408
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine;hydrochloride
CID 71638490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine (CID 97163199) is 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine is Cc1cc(Cl)nc([S@@](=O)CC2CCNCC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine?
The InChIKey is BSSGMDVUOATRSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-8-6-10(12)15-11(14-8)17(16)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7H2,1H3/t17-/m0/s1.
What are the key properties of 4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine?
4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine has a molecular weight of 273.79 g/mol, XLogP of 1.55, 3 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-ylmethylsulfinyl]pyrimidine is sourced from PubChem (CID 97163199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).