4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine

C9H12ClN3S — CID 97164036

IUPAC4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESClc1cc(SC[C@H]2CCCN2)ncn1
InChIInChI=1S/C9H12ClN3S/c10-8-4-9(13-6-12-8)14-5-7-2-1-3-11-7/h4,6-7,11H,1-3,5H2/t7-/m1/s1
InChIKeyOCTIGEPYAFXFDH-SSDOTTSWSA-N
MW229.74 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine

4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (PubChem CID 97164036) has the molecular formula C9H12ClN3S and a molecular weight of 229.74 g/mol. Its IUPAC name is 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
PubChem CID97164036
Molecular FormulaC9H12ClN3S
Molecular Weight229.74 g/mol
Exact Mass229.04
IUPAC Name4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESClc1cc(SC[C@H]2CCCN2)ncn1
InChIInChI=1S/C9H12ClN3S/c10-8-4-9(13-6-12-8)14-5-7-2-1-3-11-7/h4,6-7,11H,1-3,5H2/t7-/m1/s1
InChIKeyOCTIGEPYAFXFDH-SSDOTTSWSA-N
XLogP1.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.74
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]quinazoline
CID 102820335
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
4-chloro-3-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820415
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (CID 97164036) is 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is Clc1cc(SC[C@H]2CCCN2)ncn1.
What is the InChIKey of 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The InChIKey is OCTIGEPYAFXFDH-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClN3S/c10-8-4-9(13-6-12-8)14-5-7-2-1-3-11-7/h4,6-7,11H,1-3,5H2/t7-/m1/s1.
What are the key properties of 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine has a molecular weight of 229.74 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 97164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).