5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine

C10H14FN3OS — CID 169090105

IUPAC5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine
SMILESCS(=O)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C10H14FN3OS/c1-16(15)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyWSCFKEVNGCVGJR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds2

About 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine

5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine (PubChem CID 169090105) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine
PubChem CID169090105
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine
SMILESCS(=O)c1nc(N2CCCCC2)ncc1F
InChIInChI=1S/C10H14FN3OS/c1-16(15)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyWSCFKEVNGCVGJR-UHFFFAOYSA-N
XLogP1.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
5-fluoro-2-pyrrolidin-1-ylpyrimidine
CID 91819592
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
N-(2,3-dimethylphenyl)-5-fluoro-2-piperidin-1-ylpyrimidin-4-amine
CID 745183
4-methylsulfanyl-2-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 83852678
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
5-(1-chloroethyl)-4-methyl-2-piperidin-1-ylpyrimidine
CID 62771919
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
2-(azepan-1-yl)-5-iodopyrimidin-4-amine
CID 66303712
2-piperidin-1-ylpteridine
CID 140624386

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine?
The IUPAC name of 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine (CID 169090105) is 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine?
The canonical SMILES for 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine is CS(=O)c1nc(N2CCCCC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine?
The InChIKey is WSCFKEVNGCVGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c1-16(15)9-8(11)7-12-10(13-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine?
5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine has a molecular weight of 243.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine is sourced from PubChem (CID 169090105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).