(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one

C19H24N2OS — CID 135524560

IUPAC(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one
SMILESCc1cccc(/C=C2/N=C(SC3CCCC3)NC(=O)C2(C)C)c1
InChIInChI=1S/C19H24N2OS/c1-13-7-6-8-14(11-13)12-16-19(2,3)17(22)21-18(20-16)23-15-9-4-5-10-15/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H,20,21,22)/b16-12+
InChIKeyGUIWDGTWPZCHBY-FOWTUZBSSA-N
MW328.48 g/mol
LogP4.52
Rot. Bonds2

About (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one

(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one (PubChem CID 135524560) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one
PubChem CID135524560
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one
SMILESCc1cccc(/C=C2/N=C(SC3CCCC3)NC(=O)C2(C)C)c1
InChIInChI=1S/C19H24N2OS/c1-13-7-6-8-14(11-13)12-16-19(2,3)17(22)21-18(20-16)23-15-9-4-5-10-15/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H,20,21,22)/b16-12+
InChIKeyGUIWDGTWPZCHBY-FOWTUZBSSA-N
XLogP4.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one?
The IUPAC name of (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one (CID 135524560) is (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one.
What is the SMILES notation for (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one?
The canonical SMILES for (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one is Cc1cccc(/C=C2/N=C(SC3CCCC3)NC(=O)C2(C)C)c1.
What is the InChIKey of (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one?
The InChIKey is GUIWDGTWPZCHBY-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-7-6-8-14(11-13)12-16-19(2,3)17(22)21-18(20-16)23-15-9-4-5-10-15/h6-8,11-12,15H,4-5,9-10H2,1-3H3,(H,20,21,22)/b16-12+.
What are the key properties of (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one?
(4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one has a molecular weight of 328.48 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-cyclopentylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one is sourced from PubChem (CID 135524560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).