4-methyl-2-piperidin-3-ylsulfinylpyrimidine

C10H15N3OS — CID 71638991

IUPAC4-methyl-2-piperidin-3-ylsulfinylpyrimidine
SMILESCc1ccnc(S(=O)C2CCCNC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-4-6-12-10(13-8)15(14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyQPAXBWMXCYRFJY-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.64
Rot. Bonds2

About 4-methyl-2-piperidin-3-ylsulfinylpyrimidine

4-methyl-2-piperidin-3-ylsulfinylpyrimidine (PubChem CID 71638991) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-methyl-2-piperidin-3-ylsulfinylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-piperidin-3-ylsulfinylpyrimidine
PubChem CID71638991
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-methyl-2-piperidin-3-ylsulfinylpyrimidine
SMILESCc1ccnc(S(=O)C2CCCNC2)n1
InChIInChI=1S/C10H15N3OS/c1-8-4-6-12-10(13-8)15(14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyQPAXBWMXCYRFJY-UHFFFAOYSA-N
XLogP0.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.64
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-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
4-methyl-2-piperidin-4-ylsulfinylpyrimidine;hydrochloride
CID 71638994
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
5-methyl-2-[(R)-[(3S)-piperidin-3-yl]sulfinyl]pyridine
CID 97162908
4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyridine
CID 97166103
2-piperidin-3-ylsulfinylpyridine;hydrochloride
CID 71645974
2-[(R)-[(3R)-piperidin-3-yl]sulfinyl]-1,3-thiazole
CID 97166120
4-methyl-2-[(3R)-piperidin-3-yl]sulfanylpyrimidine
CID 94388352
4-methyl-2-piperidin-3-ylsulfanylpyrimidine
CID 62268752

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-3-ylsulfinylpyrimidine?
The IUPAC name of 4-methyl-2-piperidin-3-ylsulfinylpyrimidine (CID 71638991) is 4-methyl-2-piperidin-3-ylsulfinylpyrimidine.
What is the SMILES notation for 4-methyl-2-piperidin-3-ylsulfinylpyrimidine?
The canonical SMILES for 4-methyl-2-piperidin-3-ylsulfinylpyrimidine is Cc1ccnc(S(=O)C2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-piperidin-3-ylsulfinylpyrimidine?
The InChIKey is QPAXBWMXCYRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-4-6-12-10(13-8)15(14)9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3.
What are the key properties of 4-methyl-2-piperidin-3-ylsulfinylpyrimidine?
4-methyl-2-piperidin-3-ylsulfinylpyrimidine has a molecular weight of 225.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-3-ylsulfinylpyrimidine is sourced from PubChem (CID 71638991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).