5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine

C10H14ClN3OS — CID 71640119

IUPAC5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
SMILESO=S(CC1CCCNC1)c1ncc(Cl)cn1
InChIInChI=1S/C10H14ClN3OS/c11-9-5-13-10(14-6-9)16(15)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyGHYUSWYZBYZKHG-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.24
Rot. Bonds3

About 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine

5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine (PubChem CID 71640119) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
PubChem CID71640119
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
SMILESO=S(CC1CCCNC1)c1ncc(Cl)cn1
InChIInChI=1S/C10H14ClN3OS/c11-9-5-13-10(14-6-9)16(15)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyGHYUSWYZBYZKHG-UHFFFAOYSA-N
XLogP1.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.24
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
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
4-methyl-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97163051
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
4-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166366
4-(piperidin-3-ylmethylsulfinylmethyl)pyridine
CID 71646160
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine?
The IUPAC name of 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine (CID 71640119) is 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine?
The canonical SMILES for 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine is O=S(CC1CCCNC1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine?
The InChIKey is GHYUSWYZBYZKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c11-9-5-13-10(14-6-9)16(15)7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2.
What are the key properties of 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine?
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine has a molecular weight of 259.76 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine is sourced from PubChem (CID 71640119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).