4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine

C11H16ClN3S — CID 97162664

IUPAC4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
SMILESCc1cnc(SC[C@H]2CCCCN2)nc1Cl
InChIInChI=1S/C11H16ClN3S/c1-8-6-14-11(15-10(8)12)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyWKPIFSGUHDAAAG-SECBINFHSA-N
MW257.79 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine

4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine (PubChem CID 97162664) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
PubChem CID97162664
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
SMILESCc1cnc(SC[C@H]2CCCCN2)nc1Cl
InChIInChI=1S/C11H16ClN3S/c1-8-6-14-11(15-10(8)12)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1
InChIKeyWKPIFSGUHDAAAG-SECBINFHSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
CID 97162667
4-chloro-5-methyl-2-[[(2R)-pyrrolidin-2-yl]methoxy]pyrimidine
CID 97163146
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
tert-butyl (2S)-2-[(4-chloro-5-methylpyrimidin-2-yl)sulfanylmethyl]pyrrolidine-1-carboxylate
CID 97031973
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
CID 72716573
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
CID 107781623

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine (CID 97162664) is 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine is Cc1cnc(SC[C@H]2CCCCN2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine?
The InChIKey is WKPIFSGUHDAAAG-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-8-6-14-11(15-10(8)12)16-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine?
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine has a molecular weight of 257.79 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 97162664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).