4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine

C10H15N3OS — CID 97163111

IUPAC4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
SMILESCc1ccnc([S@@](=O)C[C@H]2CCNC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-2-5-12-10(13-8)15(14)7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3/t9-,15-/m0/s1
InChIKeyMFWCXQNJDGFQHA-VFZGTOFNSA-N
MW225.32 g/mol
LogP0.50
Rot. Bonds3

About 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine

4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine (PubChem CID 97163111) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
PubChem CID97163111
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
SMILESCc1ccnc([S@@](=O)C[C@H]2CCNC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-2-5-12-10(13-8)15(14)7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3/t9-,15-/m0/s1
InChIKeyMFWCXQNJDGFQHA-VFZGTOFNSA-N
XLogP0.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
CID 71638994
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
4-methyl-2-(pyrrolidin-3-ylmethylsulfanyl)pyrimidine
CID 62371819
4-chloro-6-methyl-2-[(S)-piperidin-4-ylmethylsulfinyl]pyrimidine
CID 97163199
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine (CID 97163111) is 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine is Cc1ccnc([S@@](=O)C[C@H]2CCNC2)n1.
What is the InChIKey of 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine?
The InChIKey is MFWCXQNJDGFQHA-VFZGTOFNSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-2-5-12-10(13-8)15(14)7-9-3-4-11-6-9/h2,5,9,11H,3-4,6-7H2,1H3/t9-,15-/m0/s1.
What are the key properties of 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine?
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine has a molecular weight of 225.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine is sourced from PubChem (CID 97163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).