2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one

C19H18F2N2O2S — CID 141204043

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one
SMILESCc1ccc([C@H](C)Cc2cc(=O)[nH]c(SCc3cccc(F)c3F)n2)o1
InChIInChI=1S/C19H18F2N2O2S/c1-11(16-7-6-12(2)25-16)8-14-9-17(24)23-19(22-14)26-10-13-4-3-5-15(20)18(13)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,23,24)/t11-/m1/s1
InChIKeyYQJQCNVHALQMKW-LLVKDONJSA-N
MW376.43 g/mol
LogP4.59
Rot. Bonds6

About 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one

2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one (PubChem CID 141204043) has the molecular formula C19H18F2N2O2S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one
PubChem CID141204043
Molecular FormulaC19H18F2N2O2S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one
SMILESCc1ccc([C@H](C)Cc2cc(=O)[nH]c(SCc3cccc(F)c3F)n2)o1
InChIInChI=1S/C19H18F2N2O2S/c1-11(16-7-6-12(2)25-16)8-14-9-17(24)23-19(22-14)26-10-13-4-3-5-15(20)18(13)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,23,24)/t11-/m1/s1
InChIKeyYQJQCNVHALQMKW-LLVKDONJSA-N
XLogP4.59
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,6-difluorophenyl)methyl]-5-isopropyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one
CID 135949039
4-(2-fluorobenzoyl)-5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136229904
4-(3-fluorobenzoyl)-5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136229905
4-(3,5-difluorobenzoyl)-5-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136229913
1-(3,4-Difluorophenyl)-2-{[5-(4-fluorophenoxy)-4-hydroxy-6-methyl-2-pyrimidinyl]sulfanyl}-1-ethanone
CID 135520966
4-(4-fluorobenzoyl)-5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136229906
4-(3,5-difluorobenzoyl)-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one
CID 136229912
N-[(2Z,5E)-5-{[5-(2-fluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]propanamide
CID 5292308
N-[(2E,5E)-5-{[5-(2,4-difluorophenyl)furan-2-yl]methylidene}-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 5456861
N-[(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 5952784
(2,4-difluorophenyl) 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate
CID 135445564
(5Z)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135797649

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one (CID 141204043) is 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one is Cc1ccc([C@H](C)Cc2cc(=O)[nH]c(SCc3cccc(F)c3F)n2)o1.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one?
The InChIKey is YQJQCNVHALQMKW-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18F2N2O2S/c1-11(16-7-6-12(2)25-16)8-14-9-17(24)23-19(22-14)26-10-13-4-3-5-15(20)18(13)21/h3-7,9,11H,8,10H2,1-2H3,(H,22,23,24)/t11-/m1/s1.
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one?
2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one has a molecular weight of 376.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]-4-[(2R)-2-(5-methylfuran-2-yl)propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 141204043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).