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

C10H14ClN3S — CID 97163210

IUPAC4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(Cl)nc(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-5-9(11)14-10(13-7)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyNYJOCGRLIZTACD-MRVPVSSYSA-N
MW243.76 g/mol
LogP2.28
Rot. Bonds3

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

4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (PubChem CID 97163210) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
PubChem CID97163210
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
SMILESCc1cc(Cl)nc(SC[C@H]2CCCN2)n1
InChIInChI=1S/C10H14ClN3S/c1-7-5-9(11)14-10(13-7)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1
InChIKeyNYJOCGRLIZTACD-MRVPVSSYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]pyrimidine
CID 97163214
4,6-dimethyl-2-(3-pyrrolidin-2-ylpropylsulfanyl)pyrimidine
CID 62480857
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
CID 71639195
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615398

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine (CID 97163210) is 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is Cc1cc(Cl)nc(SC[C@H]2CCCN2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
The InChIKey is NYJOCGRLIZTACD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-7-5-9(11)14-10(13-7)15-6-8-3-2-4-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m1/s1.
What are the key properties of 4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine?
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine has a molecular weight of 243.76 g/mol, XLogP of 2.28, 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-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 97163210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).