4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine

C11H16ClN3S — CID 97162667

IUPAC4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
SMILESCc1cnc(SC[C@@H]2CCCNC2)nc1Cl
InChIInChI=1S/C11H16ClN3S/c1-8-5-14-11(15-10(8)12)16-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyXZKWEUQAXDCNOC-SECBINFHSA-N
MW257.79 g/mol
LogP2.53
Rot. Bonds3

About 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine

4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine (PubChem CID 97162667) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
PubChem CID97162667
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine
SMILESCc1cnc(SC[C@@H]2CCCNC2)nc1Cl
InChIInChI=1S/C11H16ClN3S/c1-8-5-14-11(15-10(8)12)16-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyXZKWEUQAXDCNOC-SECBINFHSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]sulfanylpyrimidine
CID 97162662
4-chloro-5-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 97162661
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
4,6-dimethyl-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
CID 62305322
4-chloro-5-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71639098
4-chloro-5-methyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 71638126
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
4-chloro-5-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine
CID 71639114
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine (CID 97162667) is 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine is Cc1cnc(SC[C@@H]2CCCNC2)nc1Cl.
What is the InChIKey of 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine?
The InChIKey is XZKWEUQAXDCNOC-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-8-5-14-11(15-10(8)12)16-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine?
4-chloro-5-methyl-2-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine has a molecular weight of 257.79 g/mol, XLogP of 2.53, 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-[[(3R)-piperidin-3-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 97162667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).