4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride

C11H18ClN3OS — CID 71638379

IUPAC4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(S(=O)CC2CCNC2)n1.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-8-5-9(2)14-11(13-8)16(15)7-10-3-4-12-6-10;/h5,10,12H,3-4,6-7H2,1-2H3;1H
InChIKeySMINCMAPJKDKLN-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.23
Rot. Bonds3

About 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride

4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride (PubChem CID 71638379) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
PubChem CID71638379
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
SMILESCc1cc(C)nc(S(=O)CC2CCNC2)n1.Cl
InChIInChI=1S/C11H17N3OS.ClH/c1-8-5-9(2)14-11(13-8)16(15)7-10-3-4-12-6-10;/h5,10,12H,3-4,6-7H2,1-2H3;1H
InChIKeySMINCMAPJKDKLN-UHFFFAOYSA-N
XLogP1.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
CID 71639195
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride (CID 71638379) is 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride is Cc1cc(C)nc(S(=O)CC2CCNC2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride?
The InChIKey is SMINCMAPJKDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.ClH/c1-8-5-9(2)14-11(13-8)16(15)7-10-3-4-12-6-10;/h5,10,12H,3-4,6-7H2,1-2H3;1H.
What are the key properties of 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride?
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride has a molecular weight of 275.81 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71638379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).