2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

C15H18FN3OS — CID 136730596

IUPAC2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Sc2c(F)cccc2CNC)n1
InChIInChI=1S/C15H18FN3OS/c1-3-5-11-8-13(20)19-15(18-11)21-14-10(9-17-2)6-4-7-12(14)16/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19,20)
InChIKeyYTFYXPRDTDPQAS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.73
Rot. Bonds6

About 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one

2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 136730596) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID136730596
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Sc2c(F)cccc2CNC)n1
InChIInChI=1S/C15H18FN3OS/c1-3-5-11-8-13(20)19-15(18-11)21-14-10(9-17-2)6-4-7-12(14)16/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19,20)
InChIKeyYTFYXPRDTDPQAS-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-6-(1-hydroxyethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136668293
2-(2-acetyl-3-fluorophenyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135882385
2-[2-(aminomethyl)-6-chlorophenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136730594
2-[2-chloro-6-(hydroxymethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136827979
2-[[3-(ethylaminomethyl)-2-pyridinyl]sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136835807
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 136985211
2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136730622
4-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135402777
2-[(2-aminophenyl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135933599
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135574661
2-[[3-(2-aminopropyl)-2-pyridinyl]sulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136794755

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one (CID 136730596) is 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Sc2c(F)cccc2CNC)n1.
What is the InChIKey of 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is YTFYXPRDTDPQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-3-5-11-8-13(20)19-15(18-11)21-14-10(9-17-2)6-4-7-12(14)16/h4,6-8,17H,3,5,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one?
2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 307.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).