2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

C15H12FN3OS — CID 139237306

IUPAC2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc(C)nc3ccc(F)cc23)n1
InChIInChI=1S/C15H12FN3OS/c1-8-5-13(11-7-10(16)3-4-12(11)17-8)21-15-18-9(2)6-14(20)19-15/h3-7H,1-2H3,(H,18,19,20)
InChIKeyLDDLNBGSOUJNGS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.23
Rot. Bonds2

About 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one

2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 139237306) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID139237306
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Sc2cc(C)nc3ccc(F)cc23)n1
InChIInChI=1S/C15H12FN3OS/c1-8-5-13(11-7-10(16)3-4-12(11)17-8)21-15-18-9(2)6-14(20)19-15/h3-7H,1-2H3,(H,18,19,20)
InChIKeyLDDLNBGSOUJNGS-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylsulfanylbenzoic acid
CID 136695147
4-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005032
3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoic acid;hydrochloride
CID 56727752
ethane;6-fluoro-2,4-dimethylquinoline
CID 142222878
2-(5-aminoquinolin-8-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135876353
5-chloro-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzaldehyde
CID 137005031
methyl (2S)-2-amino-3-(6-fluoro-2-methylquinolin-4-yl)sulfanylpropanoate
CID 95278246
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315
2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 135928288
2-[2-(2-aminopropyl)-6-fluorophenyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 136730622
2-[(1R)-1-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135783760

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one (CID 139237306) is 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Sc2cc(C)nc3ccc(F)cc23)n1.
What is the InChIKey of 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LDDLNBGSOUJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-8-5-13(11-7-10(16)3-4-12(11)17-8)21-15-18-9(2)6-14(20)19-15/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one?
2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 301.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methylquinolin-4-yl)sulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139237306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).