5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine

C10H14FN3S — CID 71643623

IUPAC5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(SCC2CCCNC2)nc1
InChIInChI=1S/C10H14FN3S/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyPXLHCRGTDFFYPD-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.71
Rot. Bonds3

About 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine

5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine (PubChem CID 71643623) has the molecular formula C10H14FN3S and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
PubChem CID71643623
Molecular FormulaC10H14FN3S
Molecular Weight227.31 g/mol
Exact Mass227.09
IUPAC Name5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(SCC2CCCNC2)nc1
InChIInChI=1S/C10H14FN3S/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2
InChIKeyPXLHCRGTDFFYPD-UHFFFAOYSA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
2-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,8-diazaspiro[4.5]decane
CID 56712606
7-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,7-diazaspiro[4.5]decane
CID 56757294
N-[(1,1-dioxothian-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 75496379
5-fluoro-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 22135716
5-Fluoro-2-(piperidin-4-yl)pyrimidine
CID 89286485
5-Fluoro-2-(piperidin-3-ylmethyl)pyrimidine
CID 129982685
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-fluoropyrimidin-2-amine
CID 134542731
N-[(3,3-difluoropiperidin-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 134554871
5-fluoro-2-[[(3R)-piperidin-3-yl]methyl]pyrimidine
CID 139490684
5-fluoro-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 140304885
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092304

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine (CID 71643623) is 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine is Fc1cnc(SCC2CCCNC2)nc1.
What is the InChIKey of 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
The InChIKey is PXLHCRGTDFFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3S/c11-9-5-13-10(14-6-9)15-7-8-2-1-3-12-4-8/h5-6,8,12H,1-4,7H2.
What are the key properties of 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine?
5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine has a molecular weight of 227.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 71643623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).