4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine

C9H13N3OS — CID 71638987

IUPAC4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
SMILESCc1ccnc(S(=O)[C@@H]2CCNC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-2-5-11-9(12-7)14(13)8-3-4-10-6-8/h2,5,8,10H,3-4,6H2,1H3/t8-,14?/m1/s1
InChIKeyGGYOYDOYFZPCRU-ZSYIFEHUSA-N
MW211.29 g/mol
LogP0.25
Rot. Bonds2

About 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine

4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine (PubChem CID 71638987) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
PubChem CID71638987
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
SMILESCc1ccnc(S(=O)[C@@H]2CCNC2)n1
InChIInChI=1S/C9H13N3OS/c1-7-2-5-11-9(12-7)14(13)8-3-4-10-6-8/h2,5,8,10H,3-4,6H2,1H3/t8-,14?/m1/s1
InChIKeyGGYOYDOYFZPCRU-ZSYIFEHUSA-N
XLogP0.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-piperidin-3-ylsulfinylpyrimidine
CID 71638991
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
CID 71638994
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
CID 71643553
3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
CID 170987729
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
4-chloro-5-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97162641
4-chloro-6-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97163181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine?
The IUPAC name of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine (CID 71638987) is 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine.
What is the SMILES notation for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine?
The canonical SMILES for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine is Cc1ccnc(S(=O)[C@@H]2CCNC2)n1.
What is the InChIKey of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine?
The InChIKey is GGYOYDOYFZPCRU-ZSYIFEHUSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-2-5-11-9(12-7)14(13)8-3-4-10-6-8/h2,5,8,10H,3-4,6H2,1H3/t8-,14?/m1/s1.
What are the key properties of 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine?
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine has a molecular weight of 211.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine is sourced from PubChem (CID 71638987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).